A0A087Y4D4_POEFO Loading...

T-box transcription factor TBX20

AlphaFold DB , UniProt , Accession A0A087Y4D4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low44.2Very low247 Ų247166.4 Ų166.4100%1.21788%0.876SS**  0115.40-72.8175.6172.900106.8
2E38.5Very low44.8Very low189 Ų189159.6 Ų159.688%0.88385%0.852SS**  trans-82.9148.2177.1-67168.8110.600110.1
3Y35.6Very low45.3Very low241 Ų241156.3 Ų156.395%0.94585%0.85SS**  trans-99.899.3177.8-132.8-88.1000108.7
4T44.5Very low45.7Very low129 Ų129161.8 Ų161.879%0.79185%0.852SS**PPolyproline II helixtrans-77.5133.8177.950.30000110.5
5S42.8Very low46.1Very low119 Ų119154.7 Ų154.783%0.83283%0.825SS**PPolyproline II helixtrans-86.3133.917847.90000111.2
6S44.8Very low46.4Very low113 Ų113152.2 Ų152.279%0.7981%0.812SS**PPolyproline II helixtrans-80.1142.5179.346.30000112.1
7P46.3Very low46.6Very low125 Ų125147.5 Ų147.581%0.81280%0.8SS**PPolyproline II helixtrans-73.2142.5-179.229.6-34.6000111.7
8K51Low46.9Very low194 Ų194149.9 Ų149.984%0.84380%0.802SS**PPolyproline II helixtrans-72.8143171.7-67-179.8-179.2177.50110.3Q10K8-Q10 PolarHBondContact O-N 2.64Å
9P43.4Very low46.8Very low123 Ų123145.1 Ų145.180%0.79978%0.781SS**PPolyproline II helixtrans-66.6131.8178.727.5-34.4000111.2
10Q52.3Low46.8Very low196 Ų196144.4 Ų144.492%0.91678%0.776SS**PPolyproline II helixtrans-79.4133.6169-71.6-174.1-17.600110.1K8K8-Q10 PolarHBondContact O-N 2.64Å
11L45.7Very low46.9Very low154 Ų154141.4 Ų141.481%0.80677%0.771SS**PPolyproline II helixtrans-87.1151.8173.1-71.8169000110.8
12S52.1Low47.4Very low85 Ų85132.3 Ų132.359%0.59474%0.735SS**PPolyproline II helixtrans-57.2142.3-179.1177.50000112.4R14 A15S12-R14 PolarHBondContact O-N 3.31Å; S12-A15 WeakPolarHBondContact O-CB 3.24Å; S12-A15 PolarHBondContact O-N 2.75Å
13S51Low47.9Very low117 Ų117129.5 Ų129.582%0.81873%0.725SS**G310 helixtrans-55.7-20.7-179.953.70000114.2A15S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.09Å
14R51.1Low48.5Very low233 Ų233125.2 Ų125.288%0.87972%0.716SS**G310 helixtrans-76.2-6.8176.5-148168.3-172146.41.6114.2S12S12-R14 PolarHBondContact O-N 3.31Å
15A51Low48.6Very low55 Ų55124.2 Ų124.246%0.45571%0.714SS.*G310 helixtrans-89.4-20.6-178.200000114.8S12 S13 A17S12-A15 WeakPolarHBondContact O-CB 3.24Å; S12-A15 PolarHBondContact O-N 2.75Å; S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.09Å; A15-A17 PolarHBondContact O-N 2.95Å
16N51.4Low48.9Very low115 Ų115123.5 Ų123.562%0.61571%0.709SS**G310 helixtrans-74.9-4.5-173.6-85.20.6000115.1F18 S19N16-F18 PolarHBondContact O-N 2.56Å; N16-F18 VanDerWaalsContact O-N 3.14Å; N16-S19 PolarHBondContact O-N 2.65Å
17A50.1Low48.7Very low73 Ų73121 Ų12160%0.60370%0.701SS**G310 helixtrans-68.4-9-174.800000115.2A15A15-A17 PolarHBondContact O-N 2.95Å
18F51.8Low48.1Very low191 Ų191125.4 Ų125.484%0.83871%0.707SS**G310 helixtrans-121.113.5-177.7-67-78000114.2N16N16-F18 PolarHBondContact O-N 2.56Å; N16-F18 VanDerWaalsContact O-N 3.14Å
19S46Very low47.3Very low58 Ų58121.8 Ų121.841%0.40671%0.707SS.*  trans-77.1134.5175.7-64.20000111.5N16 A21 A22N16-S19 PolarHBondContact O-N 2.65Å; S19-A21 PolarHBondContact O-N 2.81Å; S19-A21 VanDerWaalsContact O-N 3.07Å; S19-A22 WeakPolarHBondContact O-CB 3.33Å; S19-A22 PolarHBondContact O-N 2.86Å
20I45.7Very low46.8Very low131 Ų131121 Ų12167%0.67270%0.704SS**Hα-helixtrans-54.2-33.8-178-64.9175.9000112.6A22 L23 M24I20-A22 PolarHBondContact O-N 3.4Å; I20-L23 PolarHBondContact O-N 3.32Å; I20-L23 VanDerWaalsContact O-N 3.15Å; I20-M24 HydrophobicContact CG2-CG 4.32Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 PolarHBondContact O-N 3.37Å
21A49.3Very low45.9Very low81 Ų81120 Ų12067%0.66970%0.697SS**Hα-helixtrans-58.7-29.3175.800000114.1S19S19-A21 PolarHBondContact O-N 2.81Å; S19-A21 VanDerWaalsContact O-N 3.07Å
22A51.7Low45.3Very low56 Ų56118.4 Ų118.446%0.46369%0.689SS.*Hα-helixtrans-73.8-40.1176.100000111.7S19 I20 M24 S25S19-A22 WeakPolarHBondContact O-CB 3.33Å; S19-A22 PolarHBondContact O-N 2.86Å; I20-A22 PolarHBondContact O-N 3.4Å; A22-M24 VanDerWaalsContact C-N 3.28Å; A22-M24 PolarHBondContact O-N 2.8Å; A22-S25 PolarHBondContact O-N 3.17Å
23L48.9Very low44.4Very low131 Ų131122.2 Ų122.269%0.68670%0.695SS**Hα-helixtrans-67.2-25.7177.4-77.3162000113.3I20I20-L23 PolarHBondContact O-N 3.32Å; I20-L23 VanDerWaalsContact O-N 3.15Å
24M46.7Very low43.4Very low151 Ų151124.2 Ų124.274%0.74469%0.691SS**THydrogen-bonded Turntrans-83-9.1178.7-68.8-17768.600114.5I20 A22I20-M24 HydrophobicContact CG2-CG 4.32Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 PolarHBondContact O-N 3.37Å; A22-M24 VanDerWaalsContact C-N 3.28Å; A22-M24 PolarHBondContact O-N 2.8Å
25S48.4Very low42.4Very low107 Ų107117.4 Ų117.475%0.74869%0.685SS**THydrogen-bonded Turntrans-82.4-31.2-178.2-162.70000112.8A22 G27A22-S25 PolarHBondContact O-N 3.17Å; S25-G27 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact O-N 3.11Å
26S47.3Very low41.6Very low104 Ų104124.1 Ų124.173%0.72771%0.707SS**SBendtrans-86.765.8-179.156.40000112.4
27G41Very low40.8Very low61 Ų61126.3 Ų126.363%0.62971%0.714SS**  trans-172.663-174.600000118.8S25S25-G27 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact O-N 3.11Å
28K33.4Very low39.9Very low217 Ų217128.4 Ų128.494%0.94372%0.715SS**  trans-159.7153.3153.1-116.3164-173.2176.30112.5
29S34.5Very low38.8Very low119 Ų119125.2 Ų125.283%0.83271%0.711SS**  trans-145.8160-166.856.20000113.3
30S33.2Very low38.2Very low107 Ų107130.1 Ų130.175%0.74873%0.731SS**  trans-165.2111.616749.80000108
31K33.2Very low37.5Very low174 Ų174133 Ų13376%0.75774%0.739SS**  77.1143.6101.2-90.7179.2148.6-75.80113.9
32D32.7Very low37.1Very low120 Ų120134.6 Ų134.664%0.64274%0.742SS**  cis-153.8-175.719.4-120.6-39.1000113.6
33K33Very low35.9Very low165 Ų165140.4 Ų140.472%0.71776%0.764SS**  trans93.7115.9175.6-62.1-169.4159.2-77.50116.1
34E30.1Very low35Very low159 Ų159142.8 Ų142.874%0.74377%0.772SS**  78.113371.6-73.3173.2145.900113
35A31.5Very low34.8Very low90 Ų90140.7 Ų140.774%0.74477%0.77SS**  cis-163.6-166-8.800000111
36E33.7Very low33.8Very low196 Ų196144.9 Ų144.992%0.91678%0.777SS**  trans77-177.8169.5-59.3-165.3146.400119.4
37E34.8Very low32.9Very low162 Ų162147.9 Ų147.976%0.75778%0.78SS**  -141.8168.5-118.5-147.6-174.2129.500116.5
38N30.4Very low32.1Very low117 Ų117153.7 Ų153.763%0.62679%0.788SS**  trans73.793.9157.3-74.3-49.2000123.6
39T30.3Very low31.9Very low123 Ų123149.1 Ų149.176%0.75578%0.778SS**  37.3142.2110.8-27.70000122.8
40I33.2Very low31.6Very low162 Ų162151.6 Ų151.683%0.83178%0.776SS**  trans110.5154.7158.9-56.1-174.5000115.5
41K30.1Very low31.4Very low192 Ų192155.3 Ų155.384%0.83578%0.779SS**  trans-113.5-158.7-158.1-53.4175.9-176.3175.80112.1
42P40.4Very low31.1Very low114 Ų114153.1 Ų153.174%0.7479%0.786SS**  -126.1160.2-91.539.5-22.9000113.9
43L27.5Very low30.7Very low178 Ų178153.3 Ų153.393%0.93280%0.797SS**  trans-142.1143.6166.1-75.8176.9000112.5
44E29.5Very low30.2Very low180 Ų180150.4 Ų150.484%0.84180%0.796SS**  trans-105.3-164.4168.4-67.9-108.2154.700108.6
45P42.7Very low30Very low108 Ų108150.8 Ų150.870%0.70180%0.803SS**  -129.9134.5-90.837.4-20000113.2
46E28.3Very low29.9Very low195 Ų195154.3 Ų154.391%0.91180%0.804SS**  trans-127163.1172-76-141.2134.100115.1
47Q26.5Very low29.7Very low166 Ų166154.4 Ų154.478%0.77681%0.805SS**  trans-68.3150-160.5-57.6163.6-700113.2
48F25.8Very low29.4Very low184 Ų184150.8 Ų150.881%0.80780%0.802SS**  trans-138.6130133.3-138.8-99000111.1E50F48-E50 HydrophobicContact CD1-CB 4.42Å; F48-E50 HydrophobicContact CE1-CB 4.44Å
49V28.3Very low29.3Very low120 Ų120153.6 Ų153.673%0.72782%0.816SS**  trans-113.1121.9172.6171.40000106.6
50E28.7Very low29.3Very low171 Ų171151.4 Ų151.480%0.79981%0.811SS**  trans-141.4154.5164.1-153.3154.5-141.200112.4F48F48-E50 HydrophobicContact CD1-CB 4.42Å; F48-E50 HydrophobicContact CE1-CB 4.44Å
51K28.7Very low29Very low185 Ų185150.9 Ų150.980%0.80481%0.81SS**  trans-111.6141.9-169.4-59166.6-177.3168.20109.2
52S26.4Very low29Very low129 Ų129149.9 Ų149.990%0.90281%0.813SS**  trans-119122.8162.7-63.60000108.9
53S25.5Very low28.4Very low124 Ų124149.8 Ų149.887%0.86782%0.815SS**  trans-92.9164.2-176.1-160.60000112.3
54C22.6Very low28.5Very low103 Ų103146.8 Ų146.870%0.69681%0.808SS**  trans-64.5148.7172.5-175.80000111.6
55N25.4Very low28.8Very low167 Ų167146.1 Ų146.189%0.89381%0.81SS**  trans-143.8153.1147.1-137.2-7.3000110.6
56Q29.8Very low28.2Very low165 Ų165149.2 Ų149.277%0.77182%0.821SS**  trans-140.8128.9-155.4-177.1-177.925.600112.2
57Q28.1Very low28.4Very low198 Ų198142.8 Ų142.893%0.92581%0.806SS**  trans-154.2158.5167.5-123.9126.519.500111.3
58A28.8Very low28.8Very low86 Ų86144.5 Ų144.571%0.71181%0.814SS**  trans-153.1163.3-164.100000113.7
59L29.5Very low29.3Very low175 Ų175139.6 Ų139.692%0.91682%0.815SS**  trans67.2148.9169.5-67.8154.3000115.2
60A30.2Very low29.3Very low78 Ų78141.5 Ų141.565%0.64582%0.821SS**  cis-146.4175.514.100000113.5
61D26.7Very low29.8Very low150 Ų150143.7 Ų143.780%0.80283%0.828SS**  trans34.7130.6153.9-61.5-23.9000122.8
62L28.9Very low30.1Very low172 Ų172140.1 Ų140.190%0.90183%0.827SS**  -159.1141.2113.4-110.8171.5000111.5
63S29Very low30.7Very low112 Ų112137.7 Ų137.778%0.78382%0.822SS**  trans-139.3114.9178.256.20000112.1
64S30.1Very low31.1Very low114 Ų114136.8 Ų136.880%0.79782%0.816SS**  trans-157.2138.9159.559.30000110.6
65L35.3Very low32Very low166 Ų166135.5 Ų135.587%0.86981%0.813SS**  trans-67.3152.8175.6-55.6125.7000110.5
66D30Very low32.6Very low174 Ų174133.1 Ų133.193%0.9381%0.807SS**  -153.9161.1105.7-127.7-28.8000111.4
67G31.8Very low33.2Very low59 Ų59129.6 Ų129.661%0.60881%0.806SS**  trans-123142.7-167.700000115
68H35.9Very low34Very low203 Ų203124.4 Ų124.494%0.9479%0.787SS**  trans-136.9128.6152.8-103.3-87.5000108.7
69G34.8Very low34.6Very low81 Ų81125.3 Ų125.384%0.83579%0.787SS**  trans-88.5143.6-177.100000112.2
70D30.3Very low35.9Very low159 Ų159120 Ų12085%0.8576%0.762SS**  trans-134122.3164.9-147.1-16.5000109S72D70-S72 PolarHBondContact O-N 3.05Å
71F38.8Very low37.4Very low217 Ų217124.1 Ų124.195%0.95277%0.768SS**  trans-88.956.7-160.6-143.8-86.9000112.1G73F71-G73 PolarHBondContact O-N 2.82Å
72S34.4Very low39Very low110 Ų110119.2 Ų119.277%0.76974%0.744SS**  trans-74.8112.3178-1720000111.1D70 S74D70-S72 PolarHBondContact O-N 3.05Å; S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 2.68Å
73G39.3Very low40.9Very low78 Ų78115.3 Ų115.380%0.80472%0.724SS**  trans-71.574.8-179.400000113.5F71 A75F71-G73 PolarHBondContact O-N 2.82Å; G73-A75 PolarHBondContact O-N 2.67Å
74S34.5Very low43Very low106 Ų106110 Ų11074%0.74169%0.686SS**PPolyproline II helixtrans-60127.8164.7-173.80000109.3S72S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 2.68Å
75A39.5Very low44.8Very low76 Ų76108.1 Ų108.163%0.62867%0.672SS**PPolyproline II helixtrans-53.5148.5158.200000108.9G73 A77G73-A75 PolarHBondContact O-N 2.67Å; A75-A77 PolarHBondContact O-N 2.9Å; A75-A77 VanDerWaalsContact O-N 3.16Å
76P38.2Very low46.1Very low117 Ų117104.7 Ų104.776%0.7666%0.658SS**PPolyproline II helixtrans-59124.5176.625.2-33.8000109.1V78P76-V78 PolarHBondContact O-N 3.34Å
77A42.4Very low47.5Very low91 Ų91102.8 Ų102.875%0.75265%0.648SS**  trans-60.4109174.400000108.2A75 C79A75-A77 PolarHBondContact O-N 2.9Å; A75-A77 VanDerWaalsContact O-N 3.16Å; A77-C79 PolarHBondContact O-N 3.21Å
78V44.8Very low48.7Very low88 Ų88104.6 Ų104.653%0.53365%0.649SS.*  trans-62.6113.1-179.4176.10000107.9P76 T80 P178P76-V78 PolarHBondContact O-N 3.34Å; V78-T80 HydrophobicContact CG1-CG2 4.25Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-T80 PolarHBondContact O-OG1 2.53Å; V78-P178 HydrophobicContact CG1-CB 4.14Å; V78-P178 HydrophobicContact CG1-CG 3.91Å
79C42.7Very low50Low105 Ų10597.5 Ų97.571%0.70963%0.631SS**  trans-59.599.9176.9-63.10000109.4A77A77-C79 PolarHBondContact O-N 3.21Å
80T57.1Low51.5Low65 Ų65101.8 Ų101.840%0.39963%0.633SS.*  trans-100.5-0.9-176.933.40000112.2V78 P176V78-T80 HydrophobicContact CG1-CG2 4.25Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-T80 PolarHBondContact O-OG1 2.53Å; T80-P176 HydrophobicContact CG2-CB 4.17Å; T80-P176 HydrophobicContact CG2-CG 3.99Å; T80-P176 WeakPolarHBondContact CG2-O 3.5Å
81E60.1Low53.4Low164 Ų16496.7 Ų96.777%0.76661%0.608SS**SBendtrans-67.6145164.2-64.9-160132.800110.9L83E81-L83 PolarHBondContact O-N 2.77Å
82P61.2Low55.2Low46 Ų4688.2 Ų88.230%0.29958%0.576SS.*  trans-57126.7172.3-27.637.7000112.3I84 T86 V151P82-I84 VanDerWaalsContact CB-O 3.29Å; P82-I84 WeakPolarHBondContact CB-O 3.21Å; P82-I84 CarbonylContact O-C 3.52Å; P82-I84 PolarHBondContact O-N 3.39Å; P82-I84 VanDerWaalsContact O-N 3.08Å; P82-T86 HydrophobicContact CG-CG2 4.16Å; P82-V151 HydrophobicContact CB-CG1 4.26Å; P82-V151 HydrophobicContact CG-CG1 4.23Å
83L68.8Low57.4Low90 Ų9089.9 Ų89.947%0.47157%0.571SS.*SBendtrans-59.5-21.9179.3-67.5168.6000113.2E81 A179 L181E81-L83 PolarHBondContact O-N 2.77Å; L83-A179 HydrophobicContact CD1-CB 4.4Å; L83-A179 HydrophobicContact CG-CB 4.24Å; L83-L181 HydrophobicContact CB-CD1 4.18Å; L83-L181 HydrophobicContact CB-CD2 4.21Å; L83-L181 HydrophobicContact CB-CG 4.17Å; L83-L181 HydrophobicContact CD1-CD1 4.44Å; L83-L181 HydrophobicContact CD1-CG 3.98Å
84I74Confident59.4Low0 Ų089.3 Ų89.30%055%0.548CS..SBendtrans-114.6124.1164.4-65.8172.3000107.6P82 L147 L181 R228 H230 L244 F249P82-I84 VanDerWaalsContact CB-O 3.29Å; P82-I84 WeakPolarHBondContact CB-O 3.21Å; P82-I84 CarbonylContact O-C 3.52Å; P82-I84 PolarHBondContact O-N 3.39Å; P82-I84 VanDerWaalsContact O-N 3.08Å; I84-L147 HydrophobicContact CD1-CD1 3.84Å; I84-L181 HydrophobicContact CD1-CD1 4.45Å; I84-L181 HydrophobicContact CD1-CD2 4.15Å; I84-L181 HydrophobicContact CG1-CD2 4.37Å; I84-R228 PolarHBondContact O-NH2 3.01Å; I84-H230 HydrophobicContact CD1-CB 4.04Å; I84-H230 WeakPolarHBondContact CD1-ND1 3.2Å; I84-L244 HydrophobicContact CD1-CD2 3.74Å; I84-L244 HydrophobicContact CG1-CD2 3.45Å; I84-L244 VanDerWaalsContact CG1-CD2 3.45Å; I84-F249 HydrophobicContact CG2-CD2 4.1Å; I84-F249 HydrophobicContact CG2-CE2 3.47Å; I84-F249 VanDerWaalsContact CG2-CE2 3.47Å; I84-F249 HydrophobicContact CG2-CZ 3.87Å
85P66.9Low61.8Low76 Ų7684.2 Ų84.249%0.49451%0.513SS..  trans-49.6149179.2-3136.7000114.4R228P85-R228 PolarHBondContact O-NH1 2.83Å
86T63.5Low64.1Low94 Ų9483 Ų8358%0.57750%0.503SS*.SBendtrans-76.6-34.7175.242.40000112.3P82 P88P82-T86 HydrophobicContact CG-CG2 4.16Å; T86-P88 WeakPolarHBondContact O-CD 3.37Å
87N59Low66.6Low133 Ų13383.3 Ų83.371%0.71149%0.492SS*.SBendtrans-78.6118.6166.6-71.3-13.5000109.3G89N87-G89 PolarHBondContact O-N 3.1Å
88P57Low69.1Low97 Ų9779 Ų7963%0.6346%0.456SS*.PPolyproline II helixtrans-67.8131170.629-32.8000109.6T86T86-P88 WeakPolarHBondContact O-CD 3.37Å
89G63Low71.5Confident55 Ų5577.5 Ų77.557%0.56745%0.45SS*.PPolyproline II helixtrans-63.1156159.700000109.9N87 P91N87-G89 PolarHBondContact O-N 3.1Å; G89-P91 WeakPolarHBondContact O-CD 3.41Å; G89-P91 VanDerWaalsContact O-N 3.14Å
90I65.4Low74.2Confident171 Ų17173.4 Ų73.488%0.87742%0.422SS*.PPolyproline II helixtrans-59.8117.7175.2-58.2175.8000107.7
91P70.1Confident76.1Confident51 Ų5172.9 Ų72.933%0.33142%0.421SS..PPolyproline II helixtrans-64.5152.7178.3-19.632.9000110.7G89 M95G89-P91 WeakPolarHBondContact O-CD 3.41Å; G89-P91 VanDerWaalsContact O-N 3.14Å; P91-M95 HydrophobicContact CB-CB 3.95Å
92S77.5Confident77.9Confident39 Ų3965.9 Ų65.927%0.27339%0.388SS..PPolyproline II helixtrans-58.5155.2166.262.30000110.6E94 M95 A96 E248S92-E94 PolarHBondContact O-N 3.38Å; S92-E94 VanDerWaalsContact O-N 3.09Å; S92-M95 CarbonylContact O-C 3.46Å; S92-M95 PolarHBondContact O-N 3.33Å; S92-M95 VanDerWaalsContact OG-CG 3.3Å; S92-M95 WeakPolarHBondContact OG-CG 3.13Å; S92-M95 PolarHBondContact OG-N 3.44Å; S92-A96 WeakPolarHBondContact O-CB 3.3Å; S92-A96 PolarHBondContact O-N 3.46Å; S92-E248 WeakPolarHBondContact CB-OE2 3.41Å; S92-E248 PolarHBondContact OG-OE2 2.91Å
93E80.3Confident79.7Confident145 Ų14566.5 Ų66.568%0.67839%0.387SS*.THydrogen-bonded Turntrans-58.2-27.7-177.2-160-151.2117.400112.7K97E93-K97 WeakPolarHBondContact O-CD 3.11Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å; E93-K97 WeakPolarHBondContact O-CG 3.21Å; E93-K97 VanDerWaalsContact OE1-CE 3.24Å; E93-K97 WeakPolarHBondContact OE1-CE 3.25Å; E93-K97 IonicContact OE1-NZ 2.64Å; E93-K97 PolarHBondContact OE1-NZ 2.96Å
94E81Confident81Confident66 Ų6665.5 Ų65.531%0.30839%0.385SS..THydrogen-bonded Turntrans-71.6-53.3172.3-160.9-154.4126.100111.6S92 A96 K97 Y144 K233S92-E94 PolarHBondContact O-N 3.38Å; S92-E94 VanDerWaalsContact O-N 3.09Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-A96 VanDerWaalsContact O-N 3.17Å; E94-K97 WeakPolarHBondContact O-CB 3.32Å; E94-K97 PolarHBondContact O-N 2.97Å; E94-Y144 PolarHBondContact OE1-OH 2.9Å; E94-K233 VanDerWaalsContact OE1-CD 3.32Å; E94-K233 WeakPolarHBondContact OE1-CD 3.5Å; E94-K233 IonicContact OE1-NZ 2.65Å; E94-K233 PolarHBondContact OE1-NZ 3.49Å; E94-K233 IonicContact OE2-NZ 3.84Å; E94-K233 PolarHBondContact OE2-NZ 3.12Å
95M86.4Confident82.1Confident0 Ų069.2 Ų69.20%040%0.401CS..G310 helixtrans-61.2-27.3176.9-65.1-63.8-70.500112.1P91 S92 K97 I98 Y144 I231 K233 E248 R250P91-M95 HydrophobicContact CB-CB 3.95Å; S92-M95 CarbonylContact O-C 3.46Å; S92-M95 PolarHBondContact O-N 3.33Å; S92-M95 VanDerWaalsContact OG-CG 3.3Å; S92-M95 WeakPolarHBondContact OG-CG 3.13Å; S92-M95 PolarHBondContact OG-N 3.44Å; M95-K97 PolarHBondContact O-N 3.47Å; M95-I98 HydrophobicContact CE-CD1 3.93Å; M95-I98 PolarHBondContact O-N 2.64Å; M95-I98 HydrophobicContact SD-CD1 3.51Å; M95-I98 VanDerWaalsContact SD-CD1 3.51Å; M95-Y144 HydrophobicContact SD-CE1 4.39Å; M95-I231 HydrophobicContact CE-CG2 4.03Å; M95-I231 WeakPolarHBondContact CE-O 3.27Å; M95-K233 HydrophobicContact SD-CB 3.78Å; M95-E248 WeakPolarHBondContact CE-O 3.48Å; M95-E248 HydrophobicContact CG-CB 4.05Å; M95-R250 HydrophobicContact CE-CB 3.88Å; M95-R250 WeakPolarHBondContact O-CD 3.23Å; M95-R250 PolarHBondContact O-NH1 3.45Å
96A86.3Confident83.6Confident51 Ų5171.6 Ų71.642%0.42141%0.406SS..G310 helixtrans-65.5-21.317400000113.6S92 E94 R250S92-A96 WeakPolarHBondContact O-CB 3.3Å; S92-A96 PolarHBondContact O-N 3.46Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-A96 VanDerWaalsContact O-N 3.17Å; A96-R250 PolarHBondContact O-NH1 2.78Å
97K90.9Very high85.2Confident123 Ų12369 Ų6954%0.53539%0.389SS..G310 helixtrans-84-21.3176.4-66.1157.7-169.11700113.3E93 E94 M95 S99E93-K97 WeakPolarHBondContact O-CD 3.11Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å; E93-K97 WeakPolarHBondContact O-CG 3.21Å; E93-K97 VanDerWaalsContact OE1-CE 3.24Å; E93-K97 WeakPolarHBondContact OE1-CE 3.25Å; E93-K97 IonicContact OE1-NZ 2.64Å; E93-K97 PolarHBondContact OE1-NZ 2.96Å; E94-K97 WeakPolarHBondContact O-CB 3.32Å; E94-K97 PolarHBondContact O-N 2.97Å; M95-K97 PolarHBondContact O-N 3.47Å; K97-S99 PolarHBondContact O-N 2.86Å
98I95.1Very high87.1Confident1 Ų162.8 Ų62.81%0.00536%0.355CS..  trans-69.2118.7-179.2-54.3173.5000110.8M95 F135 S136 G137 V138 Y144 I231 R250 F252M95-I98 HydrophobicContact CE-CD1 3.93Å; M95-I98 PolarHBondContact O-N 2.64Å; M95-I98 HydrophobicContact SD-CD1 3.51Å; M95-I98 VanDerWaalsContact SD-CD1 3.51Å; I98-F135 HydrophobicContact CG2-CD1 4.23Å; I98-S136 CarbonylContact C-O 3.51Å; I98-S136 WeakPolarHBondContact CA-O 3.36Å; I98-G137 WeakPolarHBondContact CG1-O 3.26Å; I98-V138 HydrophobicContact CB-CG1 4.46Å; I98-V138 HydrophobicContact CD1-CG1 4.11Å; I98-V138 HydrophobicContact CG1-CG1 4.01Å; I98-V138 HydrophobicContact CG2-CG1 3.7Å; I98-Y144 HydrophobicContact CD1-CE1 3.93Å; I98-I231 HydrophobicContact CD1-CG2 4.42Å; I98-I231 HydrophobicContact CG2-CD1 4.41Å; I98-I231 HydrophobicContact CG2-CG2 4.4Å; I98-R250 PolarHBondContact O-NE 3.02Å; I98-R250 PolarHBondContact O-NH1 3Å; I98-F252 HydrophobicContact CG2-CZ 4.04Å; I98-F252 WeakPolarHBondContact O-CZ 3.49Å
99S96Very high89.1Confident56 Ų5661.1 Ų61.139%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-104160.4170.595.70000111.7K97 F135 S136K97-S99 PolarHBondContact O-N 2.86Å; S99-F135 WeakPolarHBondContact O-CA 2.99Å; S99-S136 PolarHBondContact N-O 2.86Å; S99-S136 PolarHBondContact O-N 3.35Å; S99-S136 VanDerWaalsContact O-N 3.1Å; S99-S136 PolarHBondContact OG-OG 3.01Å
100C97.8Very high90.8Very high18 Ų1864 Ų6412%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-143.5124.5-178.5-169.50000109.7S134 F135 F252 F254C100-S134 CarbonylContact C-O 3.5Å; C100-S134 WeakPolarHBondContact CA-O 3.26Å; C100-F135 HydrophobicContact CB-CD1 3.94Å; C100-F135 HydrophobicContact CB-CE1 3.93Å; C100-F135 WeakPolarHBondContact SG-CE1 3.42Å; C100-F252 HydrophobicContact CB-CB 4.15Å; C100-F252 HydrophobicContact CB-CD1 3.44Å; C100-F252 VanDerWaalsContact CB-CD1 3.44Å; C100-F252 HydrophobicContact CB-CD2 3.63Å; C100-F252 HydrophobicContact CB-CE1 3.58Å; C100-F252 HydrophobicContact CB-CE2 3.77Å; C100-F252 HydrophobicContact CB-CG 3.45Å; C100-F252 VanDerWaalsContact CB-CG 3.45Å; C100-F252 HydrophobicContact CB-CZ 3.74Å; C100-F254 HydrophobicContact CB-CZ 4.34Å
101S98.1Very high92.4Very high54 Ų5455.8 Ų55.838%0.37830%0.296SS..EExtended strand (participates in β ladder)trans-102.9143.4176.255.10000111.2E103 V133 S134S101-E103 PolarHBondContact OG-OE1 2.81Å; S101-V133 WeakPolarHBondContact O-CA 3.44Å; S101-V133 WeakPolarHBondContact O-CB 3.38Å; S101-S134 PolarHBondContact N-O 3.46Å; S101-S134 PolarHBondContact O-N 2.73Å; S101-S134 VanDerWaalsContact O-N 3.12Å; S101-S134 WeakPolarHBondContact OG-CB 3.46Å; S101-S134 PolarHBondContact OG-O 3.37Å
102L98.6Very high93.7Very high17 Ų1757.3 Ų57.39%0.08930%0.298CS..EExtended strand (participates in β ladder)trans-85.8120.2168.9-17968.6000109.5K105 W108 I131 V133 F254 E256 T257L102-K105 HydrophobicContact CD2-CG 4.33Å; L102-W108 HydrophobicContact CD2-CB 4.17Å; L102-W108 HydrophobicContact CD2-CG 3.96Å; L102-I131 HydrophobicContact CD1-CG2 4.38Å; L102-V133 HydrophobicContact CD1-CG1 4.48Å; L102-F254 HydrophobicContact CB-CD1 3.75Å; L102-F254 HydrophobicContact CB-CD2 4.35Å; L102-F254 HydrophobicContact CB-CE1 3.85Å; L102-F254 HydrophobicContact CB-CE2 4.44Å; L102-F254 HydrophobicContact CB-CG 4.01Å; L102-F254 HydrophobicContact CB-CZ 4.19Å; L102-F254 HydrophobicContact CD1-CD2 4.34Å; L102-F254 HydrophobicContact CD1-CG 4.49Å; L102-F254 HydrophobicContact CD2-CB 4.1Å; L102-F254 HydrophobicContact CD2-CG 4.3Å; L102-E256 HydrophobicContact CD2-CG 3.56Å; L102-T257 HydrophobicContact CD1-CG2 4.07Å; L102-T257 HydrophobicContact CD2-CG2 3.68Å
103E98.1Very high94.7Very high59 Ų5963.4 Ų63.428%0.27632%0.322SS..THydrogen-bonded Turntrans-77.6146.4177.5-60.5-55.7139.900111.3S101 K105 R132 S134 M198S101-E103 PolarHBondContact OG-OE1 2.81Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.12Å; E103-R132 HydrophobicContact CB-CB 3.79Å; E103-R132 WeakPolarHBondContact CB-O 3.47Å; E103-R132 HydrophobicContact CG-CB 4.25Å; E103-R132 PolarHBondContact N-O 2.7Å; E103-S134 VanDerWaalsContact CD-OG 3.32Å; E103-S134 VanDerWaalsContact OE1-CB 3.28Å; E103-S134 WeakPolarHBondContact OE1-CB 3.39Å; E103-S134 PolarHBondContact OE1-OG 3.24Å; E103-M198 HydrophobicContact CG-CB 4.13Å; E103-M198 HydrophobicContact CG-SD 4.47Å
104T95.4Very high95.5Very high70 Ų7059 Ų5943%0.42930%0.303SS..THydrogen-bonded Turntrans5538-175.961.30000113.9E106 L107 W108T104-E106 PolarHBondContact O-N 3.39Å; T104-E106 VanDerWaalsContact O-N 3.17Å; T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.1Å; T104-W108 PolarHBondContact O-N 3.17Å
105K97.6Very high96.4Very high77 Ų7757.1 Ų57.134%0.33530%0.301SS..Hα-helixtrans-51.9-37.5-178.2-164.5-149-178.9-490112.8L102 E103 L107 W108 D109 E256L102-K105 HydrophobicContact CD2-CG 4.33Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.12Å; K105-L107 PolarHBondContact O-N 2.93Å; K105-W108 CarbonylContact O-C 3.59Å; K105-W108 WeakPolarHBondContact O-CA 3.34Å; K105-W108 WeakPolarHBondContact O-CB 3.45Å; K105-W108 PolarHBondContact O-N 3.47Å; K105-D109 IonicContact NZ-OD1 3.31Å; K105-D109 PolarHBondContact NZ-OD1 2.89Å; K105-D109 IonicContact NZ-OD2 2.67Å; K105-D109 PolarHBondContact NZ-OD2 3.17Å; K105-D109 PolarHBondContact O-N 2.88Å; K105-E256 WeakPolarHBondContact CE-OE1 3.44Å; K105-E256 WeakPolarHBondContact CG-OE1 3.41Å; K105-E256 IonicContact NZ-OE1 3.37Å; K105-E256 PolarHBondContact NZ-OE1 2.67Å
106E98.2Very high96.9Very high126 Ų12657.3 Ų57.359%0.58930%0.302SS*.Hα-helixtrans-65.9-20.9-178.6-46.773.3-163.400112.8T104 K110T104-E106 PolarHBondContact O-N 3.39Å; T104-E106 VanDerWaalsContact O-N 3.17Å; E106-K110 VanDerWaalsContact O-CD 3.27Å; E106-K110 WeakPolarHBondContact O-CD 3.24Å; E106-K110 WeakPolarHBondContact O-CE 3.36Å; E106-K110 VanDerWaalsContact O-CG 3.3Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å
107L98.3Very high97.5Very high41 Ų4154.9 Ų54.922%0.21528%0.282CS..Hα-helixtrans-84.4-37.8171-177.861.1000111T104 K105 F111 F128 P129T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.1Å; K105-L107 PolarHBondContact O-N 2.93Å; L107-F111 HydrophobicContact CD1-CD2 4.21Å; L107-F111 HydrophobicContact CD1-CE2 3.86Å; L107-F111 HydrophobicContact CG-CD2 4.25Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 VanDerWaalsContact O-CD2 3.3Å; L107-F111 WeakPolarHBondContact O-CD2 3.5Å; L107-F111 PolarHBondContact O-N 2.61Å; L107-F128 HydrophobicContact CD2-CZ 4.2Å; L107-P129 HydrophobicContact CD2-CB 4.17Å; L107-P129 HydrophobicContact CD2-CG 4Å; L107-P129 HydrophobicContact CG-CG 3.9Å
108W98.6Very high97.9Very high1 Ų149.2 Ų49.20%0.00426%0.258CS..Hα-helixtrans-62.6-45.1173.4-80.6103.3000111.9L102 T104 K105 K110 F111 H112 T116 M118 P129 T130 I131 E256 T257L102-W108 HydrophobicContact CD2-CB 4.17Å; L102-W108 HydrophobicContact CD2-CG 3.96Å; T104-W108 PolarHBondContact O-N 3.17Å; K105-W108 CarbonylContact O-C 3.59Å; K105-W108 WeakPolarHBondContact O-CA 3.34Å; K105-W108 WeakPolarHBondContact O-CB 3.45Å; K105-W108 PolarHBondContact O-N 3.47Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 2.98Å; W108-F111 CarbonylContact O-C 3.59Å; W108-F111 PolarHBondContact O-N 3.19Å; W108-H112 WeakPolarHBondContact O-CB 3.35Å; W108-H112 PolarHBondContact O-N 3.19Å; W108-T116 HydrophobicContact CZ3-CG2 4.39Å; W108-M118 HydrophobicContact CH2-CE 3.55Å; W108-M118 HydrophobicContact CZ3-CE 3.8Å; W108-P129 HydrophobicContact CD2-CB 4.18Å; W108-P129 HydrophobicContact CD2-CG 4.13Å; W108-P129 HydrophobicContact CE3-CG 4.43Å; W108-P129 HydrophobicContact CZ2-CB 3.85Å; W108-P129 HydrophobicContact CZ2-CG 4.44Å; W108-P129 WeakPolarHBondContact CZ2-O 3.35Å; W108-T130 PolarHBondContact NE1-O 2.85Å; W108-I131 HydrophobicContact CH2-CD1 4.48Å; W108-I131 HydrophobicContact CH2-CG1 3.9Å; W108-I131 HydrophobicContact CZ2-CD1 4.48Å; W108-I131 HydrophobicContact CZ2-CG1 3.49Å; W108-I131 VanDerWaalsContact CZ2-CG1 3.49Å; W108-E256 HydrophobicContact CB-CB 4.37Å; W108-E256 HydrophobicContact CB-CG 3.96Å; W108-T257 HydrophobicContact CD2-CG2 3.87Å; W108-T257 HydrophobicContact CE3-CG2 3.93Å; W108-T257 HydrophobicContact CG-CG2 4.37Å; W108-T257 HydrophobicContact CH2-CG2 4.35Å; W108-T257 HydrophobicContact CZ2-CG2 4.32Å; W108-T257 HydrophobicContact CZ3-CG2 4.16Å
109D98.6Very high98.1Very high62 Ų6250.4 Ų50.433%0.33226%0.264SS..Hα-helixtrans-58.1-42.3178.6-68.6-31.5000112K105 F111 H112 E113 E256K105-D109 IonicContact NZ-OD1 3.31Å; K105-D109 PolarHBondContact NZ-OD1 2.89Å; K105-D109 IonicContact NZ-OD2 2.67Å; K105-D109 PolarHBondContact NZ-OD2 3.17Å; K105-D109 PolarHBondContact O-N 2.88Å; D109-F111 VanDerWaalsContact C-N 3.33Å; D109-F111 PolarHBondContact O-N 3.37Å; D109-H112 WeakPolarHBondContact O-CB 3.26Å; D109-H112 PolarHBondContact O-N 3.02Å; D109-H112 VanDerWaalsContact O-N 3.15Å; D109-E113 PolarHBondContact O-N 3.14Å; D109-E256 WeakPolarHBondContact OD1-CB 3.28Å
110K98.6Very high98.2Very high115 Ų11547.8 Ų47.850%0.525%0.246SC..Hα-helixtrans-65.1-31.3175.3-70168.5-172.9168.50113.7E106 W108 L273E106-K110 VanDerWaalsContact O-CD 3.27Å; E106-K110 WeakPolarHBondContact O-CD 3.24Å; E106-K110 WeakPolarHBondContact O-CE 3.36Å; E106-K110 VanDerWaalsContact O-CG 3.3Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 2.98Å; K110-L273 HydrophobicContact CB-CD2 4Å
111F98.6Very high98.2Very high0 Ų048.9 Ų48.90%025%0.252CS..Hα-helixtrans-76.3-36.8171.4-84.8-68.4000111.7L107 W108 D109 L114 G115 T116 F128 P129 I270 L273 K274L107-F111 HydrophobicContact CD1-CD2 4.21Å; L107-F111 HydrophobicContact CD1-CE2 3.86Å; L107-F111 HydrophobicContact CG-CD2 4.25Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 VanDerWaalsContact O-CD2 3.3Å; L107-F111 WeakPolarHBondContact O-CD2 3.5Å; L107-F111 PolarHBondContact O-N 2.61Å; W108-F111 CarbonylContact O-C 3.59Å; W108-F111 PolarHBondContact O-N 3.19Å; D109-F111 VanDerWaalsContact C-N 3.33Å; D109-F111 PolarHBondContact O-N 3.37Å; F111-L114 PolarHBondContact O-N 2.75Å; F111-G115 CarbonylContact O-C 3.48Å; F111-G115 PolarHBondContact O-N 2.89Å; F111-T116 HydrophobicContact CB-CG2 4.11Å; F111-T116 WeakPolarHBondContact O-CA 3.37Å; F111-T116 PolarHBondContact O-N 2.87Å; F111-T116 PolarHBondContact O-OG1 2.78Å; F111-F128 HydrophobicContact CE2-CD1 4.29Å; F111-F128 AromaticContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CZ-CD1 4.22Å; F111-F128 AromaticContact CZ-CE1 3.98Å; F111-F128 HydrophobicContact CZ-CE1 3.98Å; F111-P129 HydrophobicContact CD2-CG 3.42Å; F111-P129 VanDerWaalsContact CD2-CG 3.42Å; F111-P129 HydrophobicContact CE2-CG 3.65Å; F111-P129 HydrophobicContact CG-CG 4.43Å; F111-I270 HydrophobicContact CD1-CD1 3.88Å; F111-I270 HydrophobicContact CD1-CG2 4.41Å; F111-I270 HydrophobicContact CE1-CG2 4.26Å; F111-L273 HydrophobicContact CD1-CD2 3.7Å; F111-L273 HydrophobicContact CD1-CG 4.29Å; F111-L273 HydrophobicContact CD2-CD2 4.04Å; F111-L273 HydrophobicContact CE1-CB 3.88Å; F111-L273 HydrophobicContact CE1-CD2 3.67Å; F111-L273 HydrophobicContact CE1-CG 3.72Å; F111-L273 HydrophobicContact CE2-CD2 4.02Å; F111-L273 HydrophobicContact CE2-CG 4Å; F111-L273 HydrophobicContact CG-CD2 3.88Å; F111-L273 HydrophobicContact CZ-CB 4.05Å; F111-L273 HydrophobicContact CZ-CD2 3.83Å; F111-L273 HydrophobicContact CZ-CG 3.56Å; F111-K274 HydrophobicContact CD1-CD 4.5Å; F111-K274 HydrophobicContact CE1-CD 3.54Å; F111-K274 HydrophobicContact CE1-CG 3.84Å; F111-K274 HydrophobicContact CZ-CD 3.68Å; F111-K274 HydrophobicContact CZ-CG 4.12Å
112H98.4Very high98.2Very high83 Ų8353.7 Ų53.738%0.38427%0.266SS..Hα-helixtrans-65-45.6-179.4-16981.9000112W108 D109 L114 G115 T116 V255 E256W108-H112 WeakPolarHBondContact O-CB 3.35Å; W108-H112 PolarHBondContact O-N 3.19Å; D109-H112 WeakPolarHBondContact O-CB 3.26Å; D109-H112 PolarHBondContact O-N 3.02Å; D109-H112 VanDerWaalsContact O-N 3.15Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.3Å; H112-G115 WeakPolarHBondContact O-CA 3.39Å; H112-G115 PolarHBondContact O-N 2.99Å; H112-T116 PolarHBondContact N-OG1 3.36Å; H112-V255 PolarHBondContact CE1-O 3.35Å; H112-V255 PolarHBondContact ND1-O 3.14Å; H112-E256 HydrophobicContact CB-CB 4.35Å; H112-E256 WeakPolarHBondContact ND1-CA 3.07Å; H112-E256 PolarHBondContact ND1-O 3.19Å; H112-E256 VanDerWaalsContact ND1-O 3.11Å
113E98.1Very high98.1Very high166 Ų16656.7 Ų56.778%0.77629%0.288SS*.Hα-helixtrans-54.5-40175.6-176179.5-164.700112.4D109 G115D109-E113 PolarHBondContact O-N 3.14Å; E113-G115 VanDerWaalsContact C-N 3.31Å
114L97.7Very high98.1Very high54 Ų5454.3 Ų54.328%0.28328%0.28SS..THydrogen-bonded Turntrans-84-1.9177.4-64.4177.7000114.1F111 H112 N267 L269 I270 L273F111-L114 PolarHBondContact O-N 2.75Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.3Å; L114-N267 PolarHBondContact O-ND2 2.96Å; L114-L269 HydrophobicContact CD1-CB 4.01Å; L114-L269 HydrophobicContact CD2-CB 4.06Å; L114-L269 HydrophobicContact CD2-CD1 3.93Å; L114-I270 HydrophobicContact CB-CD1 3.5Å; L114-I270 VanDerWaalsContact CB-CD1 3.5Å; L114-I270 HydrophobicContact CB-CG1 4.17Å; L114-I270 HydrophobicContact CD1-CD1 4.45Å; L114-L273 HydrophobicContact CD1-CD2 3.95Å
115G97.9Very high98.3Very high26 Ų2657.4 Ų57.427%0.26828%0.283SS..  trans73.383.2-172.700000112.7F111 H112 E113 E117F111-G115 CarbonylContact O-C 3.48Å; F111-G115 PolarHBondContact O-N 2.89Å; H112-G115 WeakPolarHBondContact O-CA 3.39Å; H112-G115 PolarHBondContact O-N 2.99Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-E117 PolarHBondContact O-N 3.47Å
116T98.8Very high98.3Very high3 Ų360.1 Ų60.12%0.01829%0.292CS..  trans-46128.6-174.4-49.10000113.2W108 F111 H112 M118 V258 F259 T260W108-T116 HydrophobicContact CZ3-CG2 4.39Å; F111-T116 HydrophobicContact CB-CG2 4.11Å; F111-T116 WeakPolarHBondContact O-CA 3.37Å; F111-T116 PolarHBondContact O-N 2.87Å; F111-T116 PolarHBondContact O-OG1 2.78Å; H112-T116 PolarHBondContact N-OG1 3.36Å; T116-M118 HydrophobicContact CG2-CE 4.1Å; T116-V258 WeakPolarHBondContact CB-O 3.49Å; T116-V258 PolarHBondContact OG1-O 3.1Å; T116-F259 HydrophobicContact CG2-CB 3.7Å; T116-F259 CarbonylContact O-C 3.58Å; T116-F259 WeakPolarHBondContact O-CA 3.09Å; T116-F259 WeakPolarHBondContact O-CB 3.48Å; T116-T260 PolarHBondContact O-N 3.21Å
117E98.8Very high98.3Very high0 Ų054.7 Ų54.70%027%0.266CS..EExtended strand (participates in β ladder)trans-113.3143.4170.4-56.2-180-165.500111G115 W167 T260 V262 Y265 Q266 N267 I270 K274G115-E117 PolarHBondContact O-N 3.47Å; E117-W167 HydrophobicContact CG-CZ2 4.06Å; E117-T260 WeakPolarHBondContact CA-O 3.24Å; E117-V262 HydrophobicContact CB-CG2 3.98Å; E117-Y265 HydrophobicContact CB-CD1 3.94Å; E117-Y265 HydrophobicContact CB-CE1 4.27Å; E117-Y265 WeakPolarHBondContact OE2-CA 3.37Å; E117-Q266 PolarHBondContact OE1-N 2.8Å; E117-Q266 PolarHBondContact OE2-N 3.21Å; E117-N267 WeakPolarHBondContact OE1-CB 3.33Å; E117-N267 PolarHBondContact OE1-N 3.37Å; E117-I270 HydrophobicContact CB-CG2 4.1Å; E117-I270 HydrophobicContact CG-CG1 4.33Å; E117-I270 HydrophobicContact CG-CG2 4.4Å; E117-K274 WeakPolarHBondContact O-CE 3.33Å; E117-K274 PolarHBondContact O-NZ 3.41Å
118M98.8Very high98.3Very high4 Ų454.2 Ų54.22%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-125.8128.6172.7-65.3-68.4-174.600110.8W108 T116 M127 F128 L206 F259 T260 V262W108-M118 HydrophobicContact CH2-CE 3.55Å; W108-M118 HydrophobicContact CZ3-CE 3.8Å; T116-M118 HydrophobicContact CG2-CE 4.1Å; M118-M127 HydrophobicContact CE-CB 4.21Å; M118-M127 HydrophobicContact SD-CB 4.16Å; M118-F128 WeakPolarHBondContact CE-O 3.14Å; M118-F128 VanDerWaalsContact SD-O 3.38Å; M118-L206 HydrophobicContact CB-CD1 3.92Å; M118-L206 HydrophobicContact CG-CD1 4.41Å; M118-F259 HydrophobicContact CB-CD2 3.48Å; M118-F259 VanDerWaalsContact CB-CD2 3.48Å; M118-F259 HydrophobicContact CB-CE2 3.72Å; M118-F259 HydrophobicContact CB-CG 4.14Å; M118-F259 HydrophobicContact CG-CB 3.86Å; M118-F259 HydrophobicContact CG-CD1 4.08Å; M118-F259 HydrophobicContact CG-CD2 3.39Å; M118-F259 HydrophobicContact CG-CE2 3.89Å; M118-F259 HydrophobicContact CG-CG 3.51Å; M118-F259 HydrophobicContact CG-CZ 4.41Å; M118-T260 PolarHBondContact N-O 3.19Å; M118-V262 PolarHBondContact O-N 3.42Å
119I98.8Very high98.3Very high26 Ų2654.2 Ų54.213%0.13326%0.263CS..EExtended strand (participates in β ladder)trans-72.2131.5176.8-62.7-74.9000110T121 R125 V262 Y265I119-T121 HydrophobicContact CG2-CG2 3.96Å; I119-R125 HydrophobicContact CB-CG 4.09Å; I119-R125 HydrophobicContact CG2-CG 3.98Å; I119-R125 WeakPolarHBondContact O-CB 3.45Å; I119-R125 WeakPolarHBondContact O-CG 3.32Å; I119-V262 CarbonylContact C-O 3.6Å; I119-V262 VanDerWaalsContact CA-O 3.24Å; I119-V262 WeakPolarHBondContact CA-O 3.46Å; I119-V262 HydrophobicContact CD1-CG2 4.16Å; I119-Y265 HydrophobicContact CD1-CD1 3.97Å; I119-Y265 HydrophobicContact CD1-CD2 4.21Å; I119-Y265 HydrophobicContact CD1-CE1 3.95Å; I119-Y265 HydrophobicContact CD1-CE2 4.19Å; I119-Y265 HydrophobicContact CD1-CG 4.09Å; I119-Y265 HydrophobicContact CG1-CD1 4.15Å; I119-Y265 HydrophobicContact CG1-CD2 4.47Å; I119-Y265 HydrophobicContact CG1-CE1 3.59Å; I119-Y265 HydrophobicContact CG1-CE2 3.95Å; I119-Y265 VanDerWaalsContact CG1-CZ 3.47Å
120I98.6Very high98.3Very high2 Ų252.6 Ų52.61%0.0126%0.255CS..  trans-113.5140.4170.568.3-178000110.4L206 N208 L219 A261 V262 T263I120-L206 HydrophobicContact CG2-CB 3.78Å; I120-L206 HydrophobicContact CG2-CD1 4.48Å; I120-N208 HydrophobicContact CD1-CB 3.71Å; I120-N208 HydrophobicContact CG1-CB 3.98Å; I120-L219 WeakPolarHBondContact CD1-O 3.4Å; I120-L219 HydrophobicContact CG2-CD1 4.42Å; I120-A261 HydrophobicContact CD1-CB 4.3Å; I120-A261 HydrophobicContact CG2-CB 4.07Å; I120-V262 PolarHBondContact N-O 2.87Å; I120-T263 HydrophobicContact CG1-CG2 4.26Å
121T98.4Very high98.3Very high40 Ų4047.2 Ų47.225%0.24523%0.232CC..  trans-141.7153.618065.10000111.8I119 S123 G124 R125 T207 N208I119-T121 HydrophobicContact CG2-CG2 3.96Å; T121-S123 PolarHBondContact O-N 2.9Å; T121-G124 PolarHBondContact O-N 3.49Å; T121-G124 PolarHBondContact OG1-N 3.04Å; T121-R125 HydrophobicContact CG2-CB 4.24Å; T121-T207 VanDerWaalsContact O-CA 3.32Å; T121-T207 WeakPolarHBondContact O-CA 3.43Å; T121-T207 WeakPolarHBondContact O-CB 3.4Å; T121-T207 PolarHBondContact O-OG1 2.85Å; T121-N208 VanDerWaalsContact C-OD1 3.25Å
122K97.3Very high98.3Very high155 Ų15550.3 Ų50.367%0.67424%0.243SC*.THydrogen-bonded Turntrans-50.6-34.8179.2-174.2176.6-177.9176.60114.1T207 N208 N209K122-T207 PolarHBondContact O-OG1 3.07Å; K122-N208 PolarHBondContact N-OD1 3.02Å; K122-N208 VanDerWaalsContact N-OD1 3.08Å; K122-N209 HydrophobicContact CG-CB 4.13Å
123S97.3Very high98.3Very high81 Ų8146.3 Ų46.357%0.56623%0.225SC*.THydrogen-bonded Turntrans-89.61.3-18052.20000115.1T121 K205 H216T121-S123 PolarHBondContact O-N 2.9Å; S123-K205 PolarHBondContact O-NZ 3.19Å; S123-H216 PolarHBondContact O-CE1 3.06Å
124G97.9Very high98.3Very high9 Ų940 Ų409%0.09320%0.199CC..  trans77.9121.2-177.400000113.4T121 K205 L206T121-G124 PolarHBondContact O-N 3.49Å; T121-G124 PolarHBondContact OG1-N 3.04Å; G124-K205 WeakPolarHBondContact O-CD 3.47Å; G124-K205 VanDerWaalsContact O-CE 3.26Å; G124-K205 WeakPolarHBondContact O-CE 3.37Å; G124-L206 WeakPolarHBondContact CA-O 3.45Å
125R98.5Very high98.4Very high134 Ų13437.8 Ų37.851%0.50619%0.187SC..EExtended strand (participates in β ladder)trans-109.7134.4-179.4-174.371.1178.2-172.5-1.1111.2I119 T121 K205 L206I119-R125 HydrophobicContact CB-CG 4.09Å; I119-R125 HydrophobicContact CG2-CG 3.98Å; I119-R125 WeakPolarHBondContact O-CB 3.45Å; I119-R125 WeakPolarHBondContact O-CG 3.32Å; T121-R125 HydrophobicContact CG2-CB 4.24Å; R125-K205 CarbonylContact O-C 3.6Å; R125-K205 VanDerWaalsContact O-CA 3.28Å; R125-K205 WeakPolarHBondContact O-CA 3.44Å; R125-L206 PolarHBondContact N-O 2.84Å; R125-L206 PolarHBondContact O-N 2.84Å
126R98.4Very high98.3Very high135 Ų13539.1 Ų39.151%0.50919%0.192SC..EExtended strand (participates in β ladder)trans-66.7143.5174.7-74-178.1173-174.1-5.6111.7E202 V204 K205R126-E202 WeakPolarHBondContact CD-O 3.44Å; R126-E202 PolarHBondContact NE-O 3.04Å; R126-V204 WeakPolarHBondContact CA-O 3.19Å; R126-K205 HydrophobicContact CG-CG 4.3Å
127M98.4Very high98.1Very high11 Ų1140.9 Ų40.95%0.05421%0.211CC..  trans-66.9146.3172.8-56-169.3-59.100111.4M118 P129 I131 M148 I150 V204 L206M118-M127 HydrophobicContact CE-CB 4.21Å; M118-M127 HydrophobicContact SD-CB 4.16Å; M127-P129 CarbonylContact C-O 3.52Å; M127-I131 HydrophobicContact CE-CB 4.24Å; M127-I131 HydrophobicContact CE-CD1 3.93Å; M127-I131 HydrophobicContact CE-CG1 3.91Å; M127-M148 HydrophobicContact CE-CE 3.9Å; M127-M148 HydrophobicContact CE-SD 4.16Å; M127-M148 HydrophobicContact SD-CE 4.39Å; M127-I150 HydrophobicContact SD-CD1 4.37Å; M127-V204 HydrophobicContact CE-CB 4.31Å; M127-V204 HydrophobicContact CE-CG1 4.22Å; M127-V204 HydrophobicContact SD-CG1 4.38Å; M127-L206 HydrophobicContact CG-CD1 3.89Å; M127-L206 HydrophobicContact CG-CD2 4.27Å; M127-L206 HydrophobicContact CG-CG 3.97Å; M127-L206 HydrophobicContact SD-CD1 4.35Å; M127-L206 HydrophobicContact SD-CD2 4.29Å
128F98.5Very high97.9Very high32 Ų3241.4 Ų41.414%0.1421%0.214CC..SBendtrans-144.1122.4165.4-174.9-87.3000110.3L107 F111 M118 K274 N278L107-F128 HydrophobicContact CD2-CZ 4.2Å; F111-F128 HydrophobicContact CE2-CD1 4.29Å; F111-F128 AromaticContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CZ-CD1 4.22Å; F111-F128 AromaticContact CZ-CE1 3.98Å; F111-F128 HydrophobicContact CZ-CE1 3.98Å; M118-F128 WeakPolarHBondContact CE-O 3.14Å; M118-F128 VanDerWaalsContact SD-O 3.38Å; F128-K274 HydrophobicContact CD1-CD 3.87Å; F128-K274 PolarHBondContact O-NZ 3.27Å; F128-N278 HydrophobicContact CD1-CB 4.02Å; F128-N278 HydrophobicContact CD2-CB 3.95Å; F128-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F128-N278 HydrophobicContact CE1-CB 3.83Å; F128-N278 HydrophobicContact CE2-CB 3.74Å; F128-N278 HydrophobicContact CG-CB 4.09Å; F128-N278 WeakPolarHBondContact CG-ND2 3.28Å; F128-N278 HydrophobicContact CZ-CB 3.69Å
129P98.4Very high97.7Very high1 Ų144.1 Ų44.11%0.00623%0.229CC..SBendcis-62.61640.9-18.932.5000113L107 W108 F111 M127L107-P129 HydrophobicContact CD2-CB 4.17Å; L107-P129 HydrophobicContact CD2-CG 4Å; L107-P129 HydrophobicContact CG-CG 3.9Å; W108-P129 HydrophobicContact CD2-CB 4.18Å; W108-P129 HydrophobicContact CD2-CG 4.13Å; W108-P129 HydrophobicContact CE3-CG 4.43Å; W108-P129 HydrophobicContact CZ2-CB 3.85Å; W108-P129 HydrophobicContact CZ2-CG 4.44Å; W108-P129 WeakPolarHBondContact CZ2-O 3.35Å; F111-P129 HydrophobicContact CD2-CG 3.42Å; F111-P129 VanDerWaalsContact CD2-CG 3.42Å; F111-P129 HydrophobicContact CE2-CG 3.65Å; F111-P129 HydrophobicContact CG-CG 4.43Å; M127-P129 CarbonylContact C-O 3.52Å
130T98.4Very high97.5Very high27 Ų2747.6 Ų47.617%0.16625%0.245CC..  trans-82138.1173-57.80000109W108 R132 E202W108-T130 PolarHBondContact NE1-O 2.85Å; T130-R132 HydrophobicContact CG2-CG 3.97Å; T130-R132 PolarHBondContact O-N 3.08Å; T130-E202 HydrophobicContact CG2-CB 3.81Å
131I98.6Very high97.2Very high2 Ų254.7 Ų54.71%0.0128%0.282CS..  trans-73.7114.5167.6-62.5179.4000107.4L102 W108 M127 V133 M148 F201 P227 V229L102-I131 HydrophobicContact CD1-CG2 4.38Å; W108-I131 HydrophobicContact CH2-CD1 4.48Å; W108-I131 HydrophobicContact CH2-CG1 3.9Å; W108-I131 HydrophobicContact CZ2-CD1 4.48Å; W108-I131 HydrophobicContact CZ2-CG1 3.49Å; W108-I131 VanDerWaalsContact CZ2-CG1 3.49Å; M127-I131 HydrophobicContact CE-CB 4.24Å; M127-I131 HydrophobicContact CE-CD1 3.93Å; M127-I131 HydrophobicContact CE-CG1 3.91Å; I131-V133 HydrophobicContact CG2-CG1 4.24Å; I131-M148 HydrophobicContact CB-SD 4.42Å; I131-M148 HydrophobicContact CD1-SD 3.82Å; I131-F201 HydrophobicContact CB-CB 4.44Å; I131-F201 HydrophobicContact CB-CD2 4.34Å; I131-F201 HydrophobicContact CG2-CD2 3.99Å; I131-F201 WeakPolarHBondContact O-CB 3.35Å; I131-F201 PolarHBondContact O-N 2.83Å; I131-P227 HydrophobicContact CD1-CB 3.31Å; I131-P227 HydrophobicContact CD1-CG 3.6Å; I131-V229 HydrophobicContact CG2-CG2 4.06Å
132R98.6Very high96.9Very high65 Ų6553.7 Ų53.725%0.24528%0.277CS..EExtended strand (participates in β ladder)trans-126.4134.6176.9-72.2174.3-178.2-85.7-11.2106.6E103 T130 M198 V199 S200 E202E103-R132 HydrophobicContact CB-CB 3.79Å; E103-R132 WeakPolarHBondContact CB-O 3.47Å; E103-R132 HydrophobicContact CG-CB 4.25Å; E103-R132 PolarHBondContact N-O 2.7Å; T130-R132 HydrophobicContact CG2-CG 3.97Å; T130-R132 PolarHBondContact O-N 3.08Å; R132-M198 HydrophobicContact CB-SD 4.09Å; R132-M198 HydrophobicContact CG-SD 4.2Å; R132-V199 WeakPolarHBondContact CA-O 3.49Å; R132-S200 PolarHBondContact NH1-OG 2.99Å; R132-S200 VanDerWaalsContact NH1-OG 3.16Å; R132-S200 PolarHBondContact NH2-OG 2.74Å; R132-E202 IonicContact CZ-OE2 3.58Å; R132-E202 IonicContact NH1-OE2 2.73Å; R132-E202 IonicContact NH2-OE2 3.68Å; R132-E202 PolarHBondContact NH2-OE2 3.32Å
133V98.6Very high96.7Very high0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-140146.3-175.3-65.30000111.9S101 L102 I131 F135 M198 V199 F201 V229 F254S101-V133 WeakPolarHBondContact O-CA 3.44Å; S101-V133 WeakPolarHBondContact O-CB 3.38Å; L102-V133 HydrophobicContact CD1-CG1 4.48Å; I131-V133 HydrophobicContact CG2-CG1 4.24Å; V133-F135 HydrophobicContact CG2-CE2 3.7Å; V133-F135 HydrophobicContact CG2-CZ 4Å; V133-M198 CarbonylContact O-C 3.6Å; V133-M198 VanDerWaalsContact O-CA 3.22Å; V133-M198 WeakPolarHBondContact O-CA 3.33Å; V133-M198 WeakPolarHBondContact O-CB 3.21Å; V133-V199 HydrophobicContact CG2-CB 4.17Å; V133-V199 PolarHBondContact N-O 3.11Å; V133-V199 PolarHBondContact O-N 2.97Å; V133-F201 HydrophobicContact CG2-CE2 4.3Å; V133-V229 HydrophobicContact CG1-CG2 4.35Å; V133-V229 HydrophobicContact CG2-CG1 4.29Å; V133-F254 HydrophobicContact CG1-CE2 3.84Å; V133-F254 HydrophobicContact CG1-CZ 4.34Å
134S98.3Very high96.5Very high32 Ų3247 Ų4722%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-112.4147169.7-53.40000109.9C100 S101 E103C100-S134 CarbonylContact C-O 3.5Å; C100-S134 WeakPolarHBondContact CA-O 3.26Å; S101-S134 PolarHBondContact N-O 3.46Å; S101-S134 PolarHBondContact O-N 2.73Å; S101-S134 VanDerWaalsContact O-N 3.12Å; S101-S134 WeakPolarHBondContact OG-CB 3.46Å; S101-S134 PolarHBondContact OG-O 3.37Å; E103-S134 VanDerWaalsContact CD-OG 3.32Å; E103-S134 VanDerWaalsContact OE1-CB 3.28Å; E103-S134 WeakPolarHBondContact OE1-CB 3.39Å; E103-S134 PolarHBondContact OE1-OG 3.24Å
135F97.9Very high96.4Very high8 Ų847.6 Ų47.64%0.03524%0.238CC..EExtended strand (participates in β ladder)trans-115.4147.7-179.8-66.2-88.1000111.1I98 S99 C100 V133 V138 V146 L194 V199 V229 I231 F252I98-F135 HydrophobicContact CG2-CD1 4.23Å; S99-F135 WeakPolarHBondContact O-CA 2.99Å; C100-F135 HydrophobicContact CB-CD1 3.94Å; C100-F135 HydrophobicContact CB-CE1 3.93Å; C100-F135 WeakPolarHBondContact SG-CE1 3.42Å; V133-F135 HydrophobicContact CG2-CE2 3.7Å; V133-F135 HydrophobicContact CG2-CZ 4Å; F135-V138 HydrophobicContact CB-CG1 4.43Å; F135-V146 HydrophobicContact CE2-CG1 4.04Å; F135-V146 HydrophobicContact CE2-CG2 4.16Å; F135-V146 HydrophobicContact CZ-CG1 3.98Å; F135-V146 HydrophobicContact CZ-CG2 4.3Å; F135-L194 HydrophobicContact CB-CB 4.28Å; F135-L194 HydrophobicContact CD2-CD2 4.09Å; F135-L194 HydrophobicContact CE2-CD2 4.47Å; F135-V199 HydrophobicContact CD2-CG2 4.24Å; F135-V199 HydrophobicContact CE2-CB 4.4Å; F135-V199 HydrophobicContact CE2-CG2 3.96Å; F135-V229 HydrophobicContact CZ-CG1 4.03Å; F135-I231 HydrophobicContact CD1-CD1 4.09Å; F135-I231 HydrophobicContact CE1-CB 4.16Å; F135-I231 HydrophobicContact CE1-CD1 4.16Å; F135-I231 HydrophobicContact CE1-CG2 4.44Å; F135-F252 HydrophobicContact CD1-CE2 4.36Å; F135-F252 HydrophobicContact CE1-CD2 4.17Å; F135-F252 AromaticContact CE1-CE2 3.87Å; F135-F252 HydrophobicContact CE1-CE2 3.87Å
136S97Very high96.3Very high54 Ų5441.2 Ų41.238%0.37821%0.214SC..EExtended strand (participates in β ladder)trans-144.9162.7171.6700000110.6I98 S99 V138I98-S136 CarbonylContact C-O 3.51Å; I98-S136 WeakPolarHBondContact CA-O 3.36Å; S99-S136 PolarHBondContact N-O 2.86Å; S99-S136 PolarHBondContact O-N 3.35Å; S99-S136 VanDerWaalsContact O-N 3.1Å; S99-S136 PolarHBondContact OG-OG 3.01Å; S136-V138 PolarHBondContact O-N 3.26Å
137G94.9Very high96.1Very high40 Ų4034.8 Ų34.841%0.41219%0.19SC..SBendtrans70.917.7-175.200000114.3I98I98-G137 WeakPolarHBondContact CG1-O 3.26Å
138V94.8Very high96.1Very high11 Ų1134.2 Ų34.27%0.06719%0.187CC..  trans-80.8150.5166.1-66.20000110.6I98 F135 S136 Y144 G191 L194 M195 I231I98-V138 HydrophobicContact CB-CG1 4.46Å; I98-V138 HydrophobicContact CD1-CG1 4.11Å; I98-V138 HydrophobicContact CG1-CG1 4.01Å; I98-V138 HydrophobicContact CG2-CG1 3.7Å; F135-V138 HydrophobicContact CB-CG1 4.43Å; S136-V138 PolarHBondContact O-N 3.26Å; V138-Y144 HydrophobicContact CB-CE2 3.85Å; V138-Y144 HydrophobicContact CG1-CE2 4.25Å; V138-G191 WeakPolarHBondContact CG2-O 3.33Å; V138-L194 HydrophobicContact CG1-CD1 4.49Å; V138-L194 HydrophobicContact CG2-CB 4.34Å; V138-M195 HydrophobicContact CG2-CG 3.51Å; V138-M195 HydrophobicContact CG2-SD 4.03Å; V138-I231 HydrophobicContact CG1-CD1 3.99Å
139D93.6Very high95.9Very high61 Ų6133 Ų3333%0.32618%0.182SC..  trans-75124170.5166.924000109.8D141 S142 Y144 G191 K233D139-D141 PolarHBondContact O-N 3.31Å; D139-D141 PolarHBondContact OD1-N 2.96Å; D139-S142 PolarHBondContact O-N 2.66Å; D139-S142 VanDerWaalsContact OD2-CB 3.26Å; D139-S142 WeakPolarHBondContact OD2-CB 3.46Å; D139-S142 PolarHBondContact OD2-OG 2.95Å; D139-Y144 PolarHBondContact N-OH 3.23Å; D139-Y144 WeakPolarHBondContact O-CE2 3.3Å; D139-G191 WeakPolarHBondContact O-CA 3.42Å; D139-K233 IonicContact OD2-NZ 2.68Å; D139-K233 PolarHBondContact OD2-NZ 2.87Å
140Q94.6Very high95.9Very high100 Ų10033.9 Ų33.947%0.46719%0.187SC..SBendtrans-67.9-36.7-167.1-67.8-177.53.900113.4S142 G191 E192 M195Q140-S142 VanDerWaalsContact C-N 3.34Å; Q140-G191 PolarHBondContact O-N 2.93Å; Q140-E192 HydrophobicContact CB-CB 4.29Å; Q140-E192 PolarHBondContact O-N 3.33Å; Q140-E192 VanDerWaalsContact O-N 3.12Å; Q140-M195 HydrophobicContact CG-SD 3.8Å
141D92.8Very high95.8Very high151 Ų15133.3 Ų33.381%0.80718%0.183SC*.SBendtrans-78.9-20.9-178.8-66.8-45.4000112.5D139D139-D141 PolarHBondContact O-N 3.31Å; D139-D141 PolarHBondContact OD1-N 2.96Å
142S92.1Very high95.7Very high19 Ų1937.1 Ų37.113%0.13321%0.208CC..SBendtrans-74.6155.4-179.8-82.40000114D139 Q140 T190 G191 K233D139-S142 PolarHBondContact O-N 2.66Å; D139-S142 VanDerWaalsContact OD2-CB 3.26Å; D139-S142 WeakPolarHBondContact OD2-CB 3.46Å; D139-S142 PolarHBondContact OD2-OG 2.95Å; Q140-S142 VanDerWaalsContact C-N 3.34Å; S142-T190 CarbonylContact O-C 3.48Å; S142-T190 WeakPolarHBondContact O-CA 3.46Å; S142-G191 PolarHBondContact O-N 3.2Å; S142-K233 WeakPolarHBondContact OG-CE 3.38Å; S142-K233 PolarHBondContact OG-NZ 3.02Å
143K93Very high95.6Very high96 Ų9637.4 Ų37.442%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-106137177.2-70.1165.3-169147.50111F189 K234K143-F189 CarbonylContact C-O 3.49Å; K143-F189 VanDerWaalsContact CA-O 3.26Å; K143-F189 WeakPolarHBondContact CA-O 3.43Å; K143-K234 HydrophobicContact CB-CB 4.3Å; K143-K234 WeakPolarHBondContact O-CB 3.49Å; K143-K234 PolarHBondContact O-N 3.31Å
144Y93.5Very high95.5Very high0 Ų039.3 Ų39.30%023%0.227CC..EExtended strand (participates in β ladder)trans-129.5137.3-174.8-64-85.4000111.7E94 M95 I98 V138 D139 P188 F189 L194 I231 I232 K233E94-Y144 PolarHBondContact OE1-OH 2.9Å; M95-Y144 HydrophobicContact SD-CE1 4.39Å; I98-Y144 HydrophobicContact CD1-CE1 3.93Å; V138-Y144 HydrophobicContact CB-CE2 3.85Å; V138-Y144 HydrophobicContact CG1-CE2 4.25Å; D139-Y144 PolarHBondContact N-OH 3.23Å; D139-Y144 WeakPolarHBondContact O-CE2 3.3Å; Y144-P188 CarbonylContact O-C 3.55Å; Y144-P188 VanDerWaalsContact O-CA 3.27Å; Y144-P188 WeakPolarHBondContact O-CA 3.29Å; Y144-F189 PolarHBondContact N-O 2.81Å; Y144-F189 PolarHBondContact O-N 3.36Å; Y144-L194 HydrophobicContact CD2-CD1 4.04Å; Y144-L194 HydrophobicContact CG-CD1 4.07Å; Y144-I231 HydrophobicContact CD1-CD1 3.74Å; Y144-I231 HydrophobicContact CD1-CG1 3.73Å; Y144-I231 HydrophobicContact CE1-CD1 4.37Å; Y144-I231 HydrophobicContact CG-CD1 3.92Å; Y144-I231 HydrophobicContact CG-CG1 4.11Å; Y144-I232 CarbonylContact C-O 3.54Å; Y144-I232 VanDerWaalsContact CA-O 3.27Å; Y144-I232 WeakPolarHBondContact CA-O 3.48Å; Y144-K233 HydrophobicContact CD1-CB 4.02Å; Y144-K233 HydrophobicContact CD1-CG 4.46Å; Y144-K233 HydrophobicContact CE1-CB 3.73Å; Y144-K233 HydrophobicContact CE1-CD 4.24Å; Y144-K233 HydrophobicContact CE1-CG 3.97Å
145I94.9Very high95.4Very high20 Ų2042.8 Ų42.810%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-94.8127.2166.7-59.1176.3000107.1V183 P188 I231 I232 L241I145-V183 HydrophobicContact CG2-CG1 3.89Å; I145-P188 HydrophobicContact CG1-CB 4.26Å; I145-I231 WeakPolarHBondContact O-CA 3.19Å; I145-I232 HydrophobicContact CB-CB 4.4Å; I145-I232 PolarHBondContact N-O 2.78Å; I145-I232 PolarHBondContact O-N 3.25Å; I145-L241 HydrophobicContact CD1-CD2 4.02Å; I145-L241 HydrophobicContact CG2-CD2 4.38Å
146V96.4Very high95.4Very high0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-111.9127.4175.8178.40000108.6F135 H184 S187 F189 L194 V199 F201 V229 H230 I231F135-V146 HydrophobicContact CE2-CG1 4.04Å; F135-V146 HydrophobicContact CE2-CG2 4.16Å; F135-V146 HydrophobicContact CZ-CG1 3.98Å; F135-V146 HydrophobicContact CZ-CG2 4.3Å; V146-H184 WeakPolarHBondContact O-CB 3.4Å; V146-H184 PolarHBondContact O-N 2.83Å; V146-S187 PolarHBondContact N-OG 2.95Å; V146-S187 PolarHBondContact O-OG 2.93Å; V146-F189 HydrophobicContact CB-CD2 4.28Å; V146-F189 HydrophobicContact CB-CE2 4.11Å; V146-F189 HydrophobicContact CG2-CD2 4.02Å; V146-F189 HydrophobicContact CG2-CE2 4.27Å; V146-L194 HydrophobicContact CG2-CD1 4.11Å; V146-L194 HydrophobicContact CG2-CD2 4Å; V146-V199 HydrophobicContact CG1-CG1 4.05Å; V146-F201 HydrophobicContact CG1-CZ 3.94Å; V146-V229 HydrophobicContact CG1-CG1 4.43Å; V146-H230 WeakPolarHBondContact CA-O 3.43Å; V146-I231 HydrophobicContact CG2-CD1 4.37Å; V146-I231 HydrophobicContact CG2-CG1 4.11Å
147L95.8Very high95.5Very high0 Ų049 Ų490%026%0.26CS..EExtended strand (participates in β ladder)trans-142.7166-177.46983.5000111.3I84 L181 Y182 V183 H230 I232I84-L147 HydrophobicContact CD1-CD1 3.84Å; L147-L181 HydrophobicContact CD1-CB 4.32Å; L147-L181 HydrophobicContact CD1-CD1 4.41Å; L147-L181 HydrophobicContact CD1-CD2 4.11Å; L147-L181 HydrophobicContact CD2-CD1 4.38Å; L147-Y182 CarbonylContact C-O 3.59Å; L147-Y182 WeakPolarHBondContact CA-O 3.29Å; L147-Y182 WeakPolarHBondContact CB-O 3.09Å; L147-V183 HydrophobicContact CB-CB 4.38Å; L147-V183 HydrophobicContact CB-CG2 4.14Å; L147-V183 HydrophobicContact CD2-CG2 4.24Å; L147-H230 HydrophobicContact CD1-CB 3.79Å; L147-H230 HydrophobicContact CG-CB 4.07Å; L147-H230 PolarHBondContact N-O 3.04Å; L147-H230 PolarHBondContact O-N 3.04Å; L147-I232 HydrophobicContact CD2-CD1 3.88Å
148M96.9Very high95.6Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-132.2140.9178.7-167-170.581.300110.5M127 I131 I150 Y182 F201 V204 I217 R228 V229M127-M148 HydrophobicContact CE-CE 3.9Å; M127-M148 HydrophobicContact CE-SD 4.16Å; M127-M148 HydrophobicContact SD-CE 4.39Å; I131-M148 HydrophobicContact CB-SD 4.42Å; I131-M148 HydrophobicContact CD1-SD 3.82Å; M148-I150 HydrophobicContact CE-CD1 3.92Å; M148-I150 HydrophobicContact CE-CG1 3.94Å; M148-Y182 PolarHBondContact N-O 2.96Å; M148-Y182 PolarHBondContact O-N 2.92Å; M148-F201 HydrophobicContact CB-CD1 3.87Å; M148-F201 HydrophobicContact CB-CE1 3.57Å; M148-F201 HydrophobicContact CB-CE2 4.43Å; M148-F201 HydrophobicContact CB-CG 4.42Å; M148-F201 HydrophobicContact CB-CZ 3.86Å; M148-F201 HydrophobicContact SD-CB 4.25Å; M148-F201 HydrophobicContact SD-CD1 4.3Å; M148-F201 HydrophobicContact SD-CD2 4.3Å; M148-F201 HydrophobicContact SD-CG 4.02Å; M148-V204 HydrophobicContact CE-CG1 3.94Å; M148-V204 HydrophobicContact CE-CG2 4.02Å; M148-I217 HydrophobicContact CE-CD1 3.94Å; M148-R228 CarbonylContact C-O 3.53Å; M148-R228 VanDerWaalsContact CA-O 3.27Å; M148-R228 WeakPolarHBondContact CA-O 3.44Å; M148-R228 WeakPolarHBondContact CG-O 3.39Å; M148-V229 HydrophobicContact CG-CG2 4.31Å
149D95.8Very high95.8Very high6 Ų653.5 Ų53.53%0.03226%0.264CS..EExtended strand (participates in β ladder)trans-121.9171.8165.397.8-9.7000111.3L181 P227 R228 H230D149-L181 HydrophobicContact CB-CD2 3.67Å; D149-P227 WeakPolarHBondContact O-CA 3.34Å; D149-R228 PolarHBondContact N-O 2.93Å; D149-R228 PolarHBondContact O-N 3.39Å; D149-R228 WeakPolarHBondContact OD1-CB 3.39Å; D149-R228 IonicContact OD1-CZ 2.73Å; D149-R228 IonicContact OD1-NE 2.75Å; D149-R228 PolarHBondContact OD1-NE 2.96Å; D149-R228 IonicContact OD1-NH2 3.5Å; D149-R228 PolarHBondContact OD1-NH2 3.09Å; D149-R228 IonicContact OD2-CZ 2.64Å; D149-R228 IonicContact OD2-NE 2.81Å; D149-R228 IonicContact OD2-NH2 3.54Å; D149-R228 PolarHBondContact OD2-NH2 3.29Å; D149-H230 IonicContact OD1-NE2 2.7Å
150I97.3Very high96Very high19 Ų1951.5 Ų51.510%0.09725%0.252CS..EExtended strand (participates in β ladder)trans-136.7111.5177.4-59.9-176.2000107.5M127 M148 L206 I217 L219 Y225 F259M127-I150 HydrophobicContact SD-CD1 4.37Å; M148-I150 HydrophobicContact CE-CD1 3.92Å; M148-I150 HydrophobicContact CE-CG1 3.94Å; I150-L206 HydrophobicContact CD1-CD2 3.56Å; I150-I217 HydrophobicContact CB-CG2 4.3Å; I150-I217 HydrophobicContact CD1-CD1 3.77Å; I150-I217 HydrophobicContact CD1-CG2 4.23Å; I150-I217 HydrophobicContact CG1-CD1 3.97Å; I150-I217 HydrophobicContact CG1-CG2 4.47Å; I150-L219 HydrophobicContact CB-CD2 4.42Å; I150-L219 HydrophobicContact CG2-CD2 3.92Å; I150-Y225 HydrophobicContact CG2-CD1 3.9Å; I150-Y225 HydrophobicContact CG2-CG 3.96Å; I150-F259 HydrophobicContact CD1-CE1 4.33Å; I150-F259 HydrophobicContact CD1-CZ 4.25Å; I150-F259 HydrophobicContact CG2-CE1 4.2Å; I150-F259 HydrophobicContact CG2-CZ 4.12Å
151V96.1Very high96.2Very high15 Ų1547.1 Ų47.19%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-103.4148.7-179.1-65.90000111.5P82 Y225 Q226 R228P82-V151 HydrophobicContact CB-CG1 4.26Å; P82-V151 HydrophobicContact CG-CG1 4.23Å; V151-Y225 CarbonylContact O-C 3.45Å; V151-Y225 WeakPolarHBondContact O-CA 3.28Å; V151-Q226 HydrophobicContact CG2-CB 4.17Å; V151-Q226 PolarHBondContact N-O 3.05Å; V151-Q226 PolarHBondContact O-N 3.26Å; V151-R228 HydrophobicContact CG2-CG 4.16Å
152P96.5Very high96.4Very high83 Ų8346.2 Ų46.254%0.53922%0.219SC..EExtended strand (participates in β ladder)trans-64.9141172.628.2-34.6000110.9K224 Y225P152-K224 WeakPolarHBondContact CA-O 3.3Å; P152-Y225 HydrophobicContact CB-CD1 4.4Å; P152-Y225 HydrophobicContact CB-CE1 4.15Å
153V96.8Very high96.5Very high71 Ų7153 Ų5343%0.4325%0.249SC..SBendtrans-77.6-38.7178173.50000111.4K224 Q226 V258V153-K224 HydrophobicContact CB-CB 3.92Å; V153-K224 HydrophobicContact CG2-CB 4.14Å; V153-K224 PolarHBondContact N-O 3.29Å; V153-Q226 HydrophobicContact CG2-CB 3.95Å; V153-V258 HydrophobicContact CG2-CG1 4.07Å; V153-V258 HydrophobicContact CG2-CG2 4.31Å
154D96.4Very high96.6Very high39 Ų3956.5 Ų56.521%0.20926%0.259CS..SBendtrans-153172.7176.668.18.2000112.9K156 Y158D154-K156 HydrophobicContact CB-CG 4.42Å; D154-K156 PolarHBondContact O-N 3.33Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 PolarHBondContact OD1-N 3.15Å; D154-K156 VanDerWaalsContact OD2-CD 3.32Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 WeakPolarHBondContact OD2-CG 3.48Å; D154-K156 IonicContact OD2-NZ 3.59Å; D154-K156 PolarHBondContact OD2-NZ 3.04Å; D154-Y158 PolarHBondContact OD2-OH 2.88Å
155N96.6Very high96.7Very high106 Ų10660.6 Ų60.657%0.56729%0.288SS*.SBendtrans-87.443.2178.6-163.1-16000111.4K172 A173N155-K172 WeakPolarHBondContact OD1-CG 3.47Å; N155-A173 PolarHBondContact O-N 2.83Å; N155-A173 WeakPolarHBondContact OD1-CB 3.44Å
156K97.9Very high96.7Very high87 Ų8761.4 Ų61.438%0.37830%0.295SS..EExtended strand (participates in β ladder)trans-125.5138.6-178.2-51.5-169.8-165.492.90112.2D154 Y158 V169 G171 H223D154-K156 HydrophobicContact CB-CG 4.42Å; D154-K156 PolarHBondContact O-N 3.33Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 PolarHBondContact OD1-N 3.15Å; D154-K156 VanDerWaalsContact OD2-CD 3.32Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 WeakPolarHBondContact OD2-CG 3.48Å; D154-K156 IonicContact OD2-NZ 3.59Å; D154-K156 PolarHBondContact OD2-NZ 3.04Å; K156-Y158 HydrophobicContact CB-CE2 4.02Å; K156-V169 HydrophobicContact CB-CG1 4.32Å; K156-V169 HydrophobicContact CD-CG1 4.09Å; K156-V169 HydrophobicContact CD-CG2 3.7Å; K156-G171 WeakPolarHBondContact CA-O 3.32Å; K156-H223 PolarHBondContact O-CD2 3.41Å; K156-H223 VanDerWaalsContact O-CD2 3.32Å
157R98.3Very high96.8Very high104 Ų10463.6 Ų63.639%0.39230%0.304SS..EExtended strand (participates in β ladder)trans-94.5139.5165.9-175.5168.1171.9175.8-3.3109.1A170 G171 K172 D174R157-A170 WeakPolarHBondContact O-CA 3.44Å; R157-A170 WeakPolarHBondContact O-CB 3.5Å; R157-A170 PolarHBondContact O-N 2.78Å; R157-G171 PolarHBondContact N-O 2.99Å; R157-G171 PolarHBondContact O-N 3.42Å; R157-K172 VanDerWaalsContact CB-O 3.23Å; R157-K172 WeakPolarHBondContact CB-O 3.49Å; R157-D174 WeakPolarHBondContact CD-OD1 3.46Å; R157-D174 IonicContact CZ-OD1 3.5Å; R157-D174 IonicContact CZ-OD2 3.95Å; R157-D174 IonicContact NE-OD1 3.63Å; R157-D174 IonicContact NE-OD2 2.79Å; R157-D174 IonicContact NH1-OD1 3.69Å; R157-D174 PolarHBondContact NH1-OD1 2.79Å; R157-D174 IonicContact NH1-OD2 3.09Å; R157-D174 PolarHBondContact NH1-OD2 2.85Å
158Y98.6Very high96.9Very high21 Ų2165.9 Ų65.98%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-110.7164.1-174.2-74.2-89.4000113.4D154 K156 L168 V169 M222 K224D154-Y158 PolarHBondContact OD2-OH 2.88Å; K156-Y158 HydrophobicContact CB-CE2 4.02Å; Y158-L168 CarbonylContact C-O 3.58Å; Y158-L168 WeakPolarHBondContact CA-O 3.43Å; Y158-L168 WeakPolarHBondContact CD1-O 3.27Å; Y158-V169 HydrophobicContact CD1-CG2 4.46Å; Y158-V169 HydrophobicContact CE1-CG2 3.95Å; Y158-M222 WeakPolarHBondContact CB-O 3.45Å; Y158-M222 PolarHBondContact N-O 3.35Å; Y158-M222 WeakPolarHBondContact O-CB 3.39Å; Y158-K224 HydrophobicContact CD2-CD 4.42Å; Y158-K224 HydrophobicContact CD2-CG 4.06Å; Y158-K224 HydrophobicContact CE2-CB 4.29Å; Y158-K224 HydrophobicContact CE2-CD 3.66Å; Y158-K224 HydrophobicContact CE2-CG 3.68Å; Y158-K224 VanDerWaalsContact CZ-CE 3.49Å; Y158-K224 PolarHBondContact OH-NZ 3.26Å
159R98.3Very high97Very high125 Ų12569.5 Ų69.547%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-140.1148.3164.268.8-179.2-173.6-77.51.6110L168 V169 A170R159-L168 HydrophobicContact CG-CB 4.3Å; R159-L168 PolarHBondContact N-O 3.32Å; R159-L168 PolarHBondContact O-N 2.64Å; R159-V169 PolarHBondContact NH1-O 2.91Å; R159-A170 HydrophobicContact CB-CB 4.14Å; R159-A170 HydrophobicContact CG-CB 4.16Å
160Y98.4Very high97.1Very high20 Ų2071.7 Ų71.78%0.07836%0.356CS..EExtended strand (participates in β ladder)trans-88.8135.4172.8-166.6-107.1000110.6Y162 S165 W167 Q266 N267Y160-Y162 AromaticContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD2 4.29Å; Y160-Y162 AromaticContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE2 4.29Å; Y160-Y162 HydrophobicContact CD1-CG 4.02Å; Y160-Y162 AromaticContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CE1 4.16Å; Y160-Y162 HydrophobicContact CE1-CG 4.37Å; Y160-S165 VanDerWaalsContact OH-C 3.3Å; Y160-S165 VanDerWaalsContact OH-CA 3.29Å; Y160-S165 WeakPolarHBondContact OH-CA 3.27Å; Y160-S165 PolarHBondContact OH-O 3.17Å; Y160-W167 AromaticContact CD2-CD1 3.97Å; Y160-W167 AromaticContact CD2-CD2 3.89Å; Y160-W167 HydrophobicContact CD2-CD2 3.89Å; Y160-W167 AromaticContact CD2-CE2 3.79Å; Y160-W167 HydrophobicContact CD2-CE3 4.48Å; Y160-W167 HydrophobicContact CD2-CG 4.03Å; Y160-W167 HydrophobicContact CD2-CZ2 4.33Å; Y160-W167 AromaticContact CD2-NE1 3.81Å; Y160-Q266 HydrophobicContact CD1-CB 3.83Å; Y160-Q266 HydrophobicContact CD2-CB 4.15Å; Y160-Q266 HydrophobicContact CG-CB 3.61Å; Y160-N267 HydrophobicContact CE2-CB 4.01Å
161A97.9Very high97.1Very high8 Ų872.4 Ų72.47%0.06637%0.368CS..EExtended strand (participates in β ladder)trans-106.689178.800000109.8H163 R164 S165 S166 L168A161-H163 VanDerWaalsContact C-N 3.29Å; A161-H163 PolarHBondContact O-N 3.42Å; A161-R164 CarbonylContact O-C 3.49Å; A161-R164 WeakPolarHBondContact O-CA 3.38Å; A161-R164 PolarHBondContact O-N 3.48Å; A161-S165 PolarHBondContact O-N 2.78Å; A161-S166 PolarHBondContact N-O 3.46Å; A161-S166 PolarHBondContact O-N 3Å; A161-L168 HydrophobicContact CB-CD1 3.64Å; A161-L168 HydrophobicContact CB-CG 3.94Å
162Y96.7Very high97.1Very high132 Ų13279.3 Ų79.352%0.51840%0.397SS..G310 helixtrans-49.9-43.2-175.3-65.4-85000114Y160 R164 S165 Q266Y160-Y162 AromaticContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD2 4.29Å; Y160-Y162 AromaticContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE2 4.29Å; Y160-Y162 HydrophobicContact CD1-CG 4.02Å; Y160-Y162 AromaticContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CE1 4.16Å; Y160-Y162 HydrophobicContact CE1-CG 4.37Å; Y162-R164 PolarHBondContact O-N 2.99Å; Y162-R164 VanDerWaalsContact O-N 3.08Å; Y162-S165 PolarHBondContact O-N 3.08Å; Y162-Q266 WeakPolarHBondContact CE1-O 3.42Å; Y162-Q266 PolarHBondContact OH-OE1 2.95Å
163H95Very high97.2Very high162 Ų16276.4 Ų76.475%0.7538%0.38SS*.G310 helixtrans-67-6178.768.7-85.3000114.8A161A161-H163 VanDerWaalsContact C-N 3.29Å; A161-H163 PolarHBondContact O-N 3.42Å
164R94.3Very high97.1Very high168 Ų16875.5 Ų75.563%0.63437%0.373SS*.G310 helixtrans-130.57.4176.7-75.917169.1167.42.7112.7A161 Y162 S166A161-R164 CarbonylContact O-C 3.49Å; A161-R164 WeakPolarHBondContact O-CA 3.38Å; A161-R164 PolarHBondContact O-N 3.48Å; Y162-R164 PolarHBondContact O-N 2.99Å; Y162-R164 VanDerWaalsContact O-N 3.08Å; R164-S166 WeakPolarHBondContact CB-OG 3.3Å; R164-S166 WeakPolarHBondContact O-CB 3.3Å; R164-S166 PolarHBondContact O-N 3.26Å; R164-S166 PolarHBondContact O-OG 3.18Å; R164-S166 VanDerWaalsContact O-OG 3.07Å
165S95.4Very high96.9Very high87 Ų8778.6 Ų78.661%0.60840%0.395SS*.THydrogen-bonded Turntrans40.341.5-174-62.20000114.6Y160 A161 Y162Y160-S165 VanDerWaalsContact OH-C 3.3Å; Y160-S165 VanDerWaalsContact OH-CA 3.29Å; Y160-S165 WeakPolarHBondContact OH-CA 3.27Å; Y160-S165 PolarHBondContact OH-O 3.17Å; A161-S165 PolarHBondContact O-N 2.78Å; Y162-S165 PolarHBondContact O-N 3.08Å
166S96.3Very high96.3Very high36 Ų3677.7 Ų77.725%0.25240%0.395SS..EExtended strand (participates in β ladder)trans-142149.2-168.555.80000114.3A161 R164A161-S166 PolarHBondContact N-O 3.46Å; A161-S166 PolarHBondContact O-N 3Å; R164-S166 WeakPolarHBondContact CB-OG 3.3Å; R164-S166 WeakPolarHBondContact O-CB 3.3Å; R164-S166 PolarHBondContact O-N 3.26Å; R164-S166 PolarHBondContact O-OG 3.18Å; R164-S166 VanDerWaalsContact O-OG 3.07Å
167W97.8Very high95.9Very high47 Ų4775 Ų7518%0.17839%0.385CS..EExtended strand (participates in β ladder)trans-82.4124.7175.8-76.5102.3000111.4E117 Y160 M222 T260 V262 Q266E117-W167 HydrophobicContact CG-CZ2 4.06Å; Y160-W167 AromaticContact CD2-CD1 3.97Å; Y160-W167 AromaticContact CD2-CD2 3.89Å; Y160-W167 HydrophobicContact CD2-CD2 3.89Å; Y160-W167 AromaticContact CD2-CE2 3.79Å; Y160-W167 HydrophobicContact CD2-CE3 4.48Å; Y160-W167 HydrophobicContact CD2-CG 4.03Å; Y160-W167 HydrophobicContact CD2-CZ2 4.33Å; Y160-W167 AromaticContact CD2-NE1 3.81Å; W167-M222 HydrophobicContact CH2-CE 3.86Å; W167-M222 HydrophobicContact CH2-SD 4.34Å; W167-M222 HydrophobicContact CZ3-CE 3.66Å; W167-M222 HydrophobicContact CZ3-SD 4.49Å; W167-T260 HydrophobicContact CH2-CG2 3.67Å; W167-T260 HydrophobicContact CZ2-CG2 4.01Å; W167-T260 HydrophobicContact CZ3-CG2 3.95Å; W167-V262 HydrophobicContact CH2-CG1 3.85Å; W167-V262 HydrophobicContact CZ2-CG1 4.24Å; W167-Q266 HydrophobicContact CH2-CB 4.32Å; W167-Q266 HydrophobicContact CH2-CG 3.73Å; W167-Q266 HydrophobicContact CZ2-CB 4.13Å; W167-Q266 HydrophobicContact CZ2-CG 3.99Å
168L97.6Very high95.3Very high48 Ų4872.8 Ų72.825%0.25138%0.384SS..EExtended strand (participates in β ladder)trans-116149.6177.6-58.4-176.7000111.1Y158 R159 A161 A170Y158-L168 CarbonylContact C-O 3.58Å; Y158-L168 WeakPolarHBondContact CA-O 3.43Å; Y158-L168 WeakPolarHBondContact CD1-O 3.27Å; R159-L168 HydrophobicContact CG-CB 4.3Å; R159-L168 PolarHBondContact N-O 3.32Å; R159-L168 PolarHBondContact O-N 2.64Å; A161-L168 HydrophobicContact CB-CD1 3.64Å; A161-L168 HydrophobicContact CB-CG 3.94Å; L168-A170 PolarHBondContact O-N 2.7Å
169V98.3Very high94.6Very high75 Ų7573.6 Ų73.646%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-69.1129.8170.5178.80000109.5K156 Y158 R159K156-V169 HydrophobicContact CB-CG1 4.32Å; K156-V169 HydrophobicContact CD-CG1 4.09Å; K156-V169 HydrophobicContact CD-CG2 3.7Å; Y158-V169 HydrophobicContact CD1-CG2 4.46Å; Y158-V169 HydrophobicContact CE1-CG2 3.95Å; R159-V169 PolarHBondContact NH1-O 2.91Å
170A97.6Very high94.2Very high52 Ų5270.9 Ų70.943%0.4338%0.384SS..EExtended strand (participates in β ladder)trans-101.3-28.7176.900000113.2R157 R159 L168R157-A170 WeakPolarHBondContact O-CA 3.44Å; R157-A170 WeakPolarHBondContact O-CB 3.5Å; R157-A170 PolarHBondContact O-N 2.78Å; R159-A170 HydrophobicContact CB-CB 4.14Å; R159-A170 HydrophobicContact CG-CB 4.16Å; L168-A170 PolarHBondContact O-N 2.7Å
171G97.7Very high93.9Very high34 Ų3472.2 Ų72.235%0.35139%0.392SS..EExtended strand (participates in β ladder)trans173-163.2176.200000112.2K156 R157K156-G171 WeakPolarHBondContact CA-O 3.32Å; R157-G171 PolarHBondContact N-O 2.99Å; R157-G171 PolarHBondContact O-N 3.42Å
172K97.4Very high93.8Very high160 Ų16073.9 Ų73.970%0.69640%0.397SS*.EExtended strand (participates in β ladder)trans-60.2154.4165.3-170.8179177.8-176.60110.1N155 R157N155-K172 WeakPolarHBondContact OD1-CG 3.47Å; R157-K172 VanDerWaalsContact CB-O 3.23Å; R157-K172 WeakPolarHBondContact CB-O 3.49Å
173A96.9Very high93.8Very high22 Ų2269.9 Ų69.918%0.18239%0.387CS..PPolyproline II helixtrans-62.2152.2172.500000112.5N155 H223N155-A173 PolarHBondContact O-N 2.83Å; N155-A173 WeakPolarHBondContact OD1-CB 3.44Å; A173-H223 VanDerWaalsContact CA-NE2 3.3Å; A173-H223 WeakPolarHBondContact CA-NE2 3.22Å
174D94.6Very high93.9Very high52 Ų5262.6 Ų62.628%0.27835%0.353SS..PPolyproline II helixtrans-66.6157.2164-61.4-28.2000109.5R157 H223R157-D174 WeakPolarHBondContact CD-OD1 3.46Å; R157-D174 IonicContact CZ-OD1 3.5Å; R157-D174 IonicContact CZ-OD2 3.95Å; R157-D174 IonicContact NE-OD1 3.63Å; R157-D174 IonicContact NE-OD2 2.79Å; R157-D174 IonicContact NH1-OD1 3.69Å; R157-D174 PolarHBondContact NH1-OD1 2.79Å; R157-D174 IonicContact NH1-OD2 3.09Å; R157-D174 PolarHBondContact NH1-OD2 2.85Å; D174-H223 PolarHBondContact N-NE2 3.05Å; D174-H223 IonicContact OD2-CE1 2.64Å; D174-H223 PolarHBondContact OD2-CE1 3.16Å; D174-H223 VanDerWaalsContact OD2-CE1 3.31Å
175P92.3Very high94Very high105 Ų10557.7 Ų57.768%0.68234%0.343SS*.PPolyproline II helixtrans-53.6143.1-173.9-28.136.1000114.2L177 N220P175-L177 PolarHBondContact O-N 3.02Å; P175-N220 PolarHBondContact O-ND2 3.05Å
176P85.4Confident94Very high86 Ų8657.8 Ų57.856%0.55834%0.336SS*.PPolyproline II helixtrans-65.2135.1179.127.1-33.7000111.1T80T80-P176 HydrophobicContact CG2-CB 4.17Å; T80-P176 HydrophobicContact CG2-CG 3.99Å; T80-P176 WeakPolarHBondContact CG2-O 3.5Å
177L88.4Confident93.9Very high32 Ų3257.3 Ų57.317%0.16833%0.333CS..PPolyproline II helixtrans-84.3162.6177.4-62.4-179.8000111.3P175 A179 E210 I218 N220P175-L177 PolarHBondContact O-N 3.02Å; L177-A179 PolarHBondContact O-N 3.01Å; L177-E210 HydrophobicContact CD2-CG 3.92Å; L177-I218 HydrophobicContact CD1-CB 4.06Å; L177-I218 HydrophobicContact CD1-CG2 3.58Å; L177-N220 WeakPolarHBondContact CD1-OD1 3.29Å; L177-N220 WeakPolarHBondContact CG-OD1 3.32Å
178P85.8Confident93.7Very high57 Ų5758.3 Ų58.337%0.3735%0.346SS..PPolyproline II helixtrans-58.1123.3175.1-17.127000111.2V78V78-P178 HydrophobicContact CG1-CB 4.14Å; V78-P178 HydrophobicContact CG1-CG 3.91Å
179A83.3Confident93.7Very high37 Ų3756.3 Ų56.331%0.30634%0.335SS..PPolyproline II helixtrans-63.3140.4178.400000111.1L83 L177L83-A179 HydrophobicContact CD1-CB 4.4Å; L83-A179 HydrophobicContact CG-CB 4.24Å; L177-A179 PolarHBondContact O-N 3.01Å
180R91.6Very high93.6Very high68 Ų6854.7 Ų54.726%0.25733%0.326SS..  trans-131.9125179.6-70.9-177.2174.2-162-7.7110.7D212 H216 I218R180-D212 PolarHBondContact NH1-O 2.82Å; R180-D212 VanDerWaalsContact NH1-O 3.11Å; R180-D212 IonicContact NH1-OD2 2.7Å; R180-D212 PolarHBondContact NH1-OD2 3.43Å; R180-D212 VanDerWaalsContact NH1-OD2 3.09Å; R180-D212 PolarHBondContact NH2-O 3.41Å; R180-H216 WeakPolarHBondContact CD-O 3.4Å; R180-H216 PolarHBondContact NH1-O 3.4Å; R180-I218 VanDerWaalsContact CZ-CD1 3.49Å
181L92.3Very high93.5Very high48 Ų4852.2 Ų52.225%0.25131%0.305SS..  trans-87129.7170.2-57.8-176.8000109.3L83 I84 L147 D149 L244L83-L181 HydrophobicContact CB-CD1 4.18Å; L83-L181 HydrophobicContact CB-CD2 4.21Å; L83-L181 HydrophobicContact CB-CG 4.17Å; L83-L181 HydrophobicContact CD1-CD1 4.44Å; L83-L181 HydrophobicContact CD1-CG 3.98Å; I84-L181 HydrophobicContact CD1-CD1 4.45Å; I84-L181 HydrophobicContact CD1-CD2 4.15Å; I84-L181 HydrophobicContact CG1-CD2 4.37Å; L147-L181 HydrophobicContact CD1-CB 4.32Å; L147-L181 HydrophobicContact CD1-CD1 4.41Å; L147-L181 HydrophobicContact CD1-CD2 4.11Å; L147-L181 HydrophobicContact CD2-CD1 4.38Å; D149-L181 HydrophobicContact CB-CD2 3.67Å; L181-L244 HydrophobicContact CD1-CD2 4.06Å
182Y95.9Very high93.4Very high43 Ų4354.7 Ų54.717%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-97.4101.4169-177.7-91.7000109.7L147 M148 F201 K203 V204L147-Y182 CarbonylContact C-O 3.59Å; L147-Y182 WeakPolarHBondContact CA-O 3.29Å; L147-Y182 WeakPolarHBondContact CB-O 3.09Å; M148-Y182 PolarHBondContact N-O 2.96Å; M148-Y182 PolarHBondContact O-N 2.92Å; Y182-F201 AromaticContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CE1 4.17Å; Y182-F201 HydrophobicContact CE1-CD1 4Å; Y182-K203 WeakPolarHBondContact OH-CB 3.34Å; Y182-V204 HydrophobicContact CD1-CG2 3.38Å; Y182-V204 HydrophobicContact CD2-CG2 4.05Å; Y182-V204 HydrophobicContact CE1-CG2 3.55Å; Y182-V204 HydrophobicContact CE2-CG2 4.2Å; Y182-V204 HydrophobicContact CG-CG2 3.65Å
183V95.9Very high93.4Very high49 Ų4950.9 Ų50.930%0.29729%0.292SS..EExtended strand (participates in β ladder)trans-72.3131.1170.8-177.30000109I145 L147 L241I145-V183 HydrophobicContact CG2-CG1 3.89Å; L147-V183 HydrophobicContact CB-CB 4.38Å; L147-V183 HydrophobicContact CB-CG2 4.14Å; L147-V183 HydrophobicContact CD2-CG2 4.24Å; V183-L241 HydrophobicContact CG2-CD1 4.04Å
184H97.1Very high93.4Very high8 Ų849.9 Ų49.94%0.03728%0.284CS..  trans-63.9127.6175.7-171.1-87.9000109V146 D186 S187 F189 V199 S200 F201V146-H184 WeakPolarHBondContact O-CB 3.4Å; V146-H184 PolarHBondContact O-N 2.83Å; H184-D186 IonicContact CE1-OD2 2.96Å; H184-D186 PolarHBondContact CE1-OD2 3.2Å; H184-D186 PolarHBondContact ND1-N 2.84Å; H184-D186 IonicContact ND1-OD2 3.64Å; H184-D186 PolarHBondContact O-N 2.85Å; H184-S187 WeakPolarHBondContact O-CB 3.36Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 PolarHBondContact O-OG 2.89Å; H184-F189 HydrophobicContact CB-CE2 4.37Å; H184-F189 AromaticContact CE1-CZ 3.69Å; H184-F189 AromaticContact ND1-CE2 3.66Å; H184-F189 AromaticContact ND1-CZ 3.32Å; H184-F189 VanDerWaalsContact ND1-CZ 3.32Å; H184-F189 WeakPolarHBondContact ND1-CZ 3.32Å; H184-V199 HydrophobicContact CB-CG1 4.34Å; H184-V199 WeakPolarHBondContact CD2-CG1 3.21Å; H184-S200 PolarHBondContact NE2-O 3.21Å; H184-F201 HydrophobicContact CB-CE1 4.2Å
185P96.1Very high93.5Very high66 Ų6651.6 Ų51.643%0.42929%0.291SS..THydrogen-bonded Turntrans-64.2-21.5-166.223.1-33.9000114S187 K203P185-S187 VanDerWaalsContact C-N 3.28Å; P185-K203 HydrophobicContact CG-CD 3.64Å
186D95.8Very high93.7Very high88 Ų8853.6 Ų53.647%0.47129%0.289SS..THydrogen-bonded Turntrans-90.88.4-179.6-42.1-19.4000111.5H184 F189 K203H184-D186 IonicContact CE1-OD2 2.96Å; H184-D186 PolarHBondContact CE1-OD2 3.2Å; H184-D186 PolarHBondContact ND1-N 2.84Å; H184-D186 IonicContact ND1-OD2 3.64Å; H184-D186 PolarHBondContact O-N 2.85Å; D186-F189 HydrophobicContact CB-CE1 4.08Å; D186-F189 HydrophobicContact CB-CZ 4.04Å; D186-K203 IonicContact OD1-NZ 2.8Å; D186-K203 PolarHBondContact OD1-NZ 2.78Å
187S93.8Very high94.2Very high26 Ų2654.5 Ų54.518%0.18229%0.286CS..PPolyproline II helixtrans-77.2148172.2-61.50000112V146 H184 P185V146-S187 PolarHBondContact N-OG 2.95Å; V146-S187 PolarHBondContact O-OG 2.93Å; H184-S187 WeakPolarHBondContact O-CB 3.36Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 PolarHBondContact O-OG 2.89Å; P185-S187 VanDerWaalsContact C-N 3.28Å
188P94.8Very high94.6Very high69 Ų6957.3 Ų57.345%0.44830%0.299SS..SBendcis-80.7136.90.332.2-34.4000112.6Y144 I145Y144-P188 CarbonylContact O-C 3.55Å; Y144-P188 VanDerWaalsContact O-CA 3.27Å; Y144-P188 WeakPolarHBondContact O-CA 3.29Å; I145-P188 HydrophobicContact CG1-CB 4.26Å
189F96Very high95.2Very high6 Ų654.7 Ų54.73%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-83.8159.4170.9-63.1-85.2000111K143 Y144 V146 H184 D186 Q193 L194 V199K143-F189 CarbonylContact C-O 3.49Å; K143-F189 VanDerWaalsContact CA-O 3.26Å; K143-F189 WeakPolarHBondContact CA-O 3.43Å; Y144-F189 PolarHBondContact N-O 2.81Å; Y144-F189 PolarHBondContact O-N 3.36Å; V146-F189 HydrophobicContact CB-CD2 4.28Å; V146-F189 HydrophobicContact CB-CE2 4.11Å; V146-F189 HydrophobicContact CG2-CD2 4.02Å; V146-F189 HydrophobicContact CG2-CE2 4.27Å; H184-F189 HydrophobicContact CB-CE2 4.37Å; H184-F189 AromaticContact CE1-CZ 3.69Å; H184-F189 AromaticContact ND1-CE2 3.66Å; H184-F189 AromaticContact ND1-CZ 3.32Å; H184-F189 VanDerWaalsContact ND1-CZ 3.32Å; H184-F189 WeakPolarHBondContact ND1-CZ 3.32Å; D186-F189 HydrophobicContact CB-CE1 4.08Å; D186-F189 HydrophobicContact CB-CZ 4.04Å; F189-Q193 HydrophobicContact CD1-CB 4.39Å; F189-L194 HydrophobicContact CB-CD1 4.28Å; F189-L194 HydrophobicContact CB-CD2 3.8Å; F189-L194 HydrophobicContact CB-CG 3.74Å; F189-L194 HydrophobicContact CD1-CD2 4.16Å; F189-L194 HydrophobicContact CD2-CD2 3.74Å; F189-L194 HydrophobicContact CE2-CD2 4.25Å; F189-L194 HydrophobicContact CG-CD2 3.66Å; F189-L194 HydrophobicContact CG-CG 4.18Å; F189-V199 HydrophobicContact CE2-CG1 4.31Å; F189-V199 HydrophobicContact CE2-CG2 4.15Å; F189-V199 HydrophobicContact CZ-CG1 4.22Å; F189-V199 HydrophobicContact CZ-CG2 4.01Å
190T96.1Very high95.9Very high41 Ų4153.7 Ų53.725%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-82.8157.6156.964.90000110.5S142 E192 Q193 L194S142-T190 CarbonylContact O-C 3.48Å; S142-T190 WeakPolarHBondContact O-CA 3.46Å; T190-E192 PolarHBondContact O-N 3.19Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 3.03Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.32Å; T190-Q193 PolarHBondContact OG1-N 2.96Å; T190-Q193 VanDerWaalsContact OG1-N 3.14Å; T190-L194 PolarHBondContact O-N 3.38Å; T190-L194 VanDerWaalsContact O-N 3.1Å
191G95.6Very high96.2Very high0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-59.8-37.4171.400000112.2V138 D139 Q140 S142 Q193 L194 M195V138-G191 WeakPolarHBondContact CG2-O 3.33Å; D139-G191 WeakPolarHBondContact O-CA 3.42Å; Q140-G191 PolarHBondContact O-N 2.93Å; S142-G191 PolarHBondContact O-N 3.2Å; G191-Q193 VanDerWaalsContact C-N 3.3Å; G191-Q193 PolarHBondContact O-N 3.44Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-L194 VanDerWaalsContact O-N 3.14Å; G191-M195 WeakPolarHBondContact O-CG 3.17Å; G191-M195 PolarHBondContact O-N 2.97Å
192E96.9Very high96.5Very high85 Ų8551.4 Ų51.440%0.39726%0.264SS..Hα-helixtrans-58.8-38.4174.6-155.7-139.5-159.100112.7Q140 T190 K196Q140-E192 HydrophobicContact CB-CB 4.29Å; Q140-E192 PolarHBondContact O-N 3.33Å; Q140-E192 VanDerWaalsContact O-N 3.12Å; T190-E192 PolarHBondContact O-N 3.19Å; E192-K196 VanDerWaalsContact CD-CE 3.47Å; E192-K196 WeakPolarHBondContact O-CD 3.45Å; E192-K196 VanDerWaalsContact O-CG 3.26Å; E192-K196 WeakPolarHBondContact O-CG 3.32Å; E192-K196 PolarHBondContact O-N 3.21Å; E192-K196 WeakPolarHBondContact OE1-CE 3.27Å; E192-K196 IonicContact OE1-NZ 3.46Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 IonicContact OE2-NZ 3.21Å; E192-K196 PolarHBondContact OE2-NZ 3.23Å
193Q97.2Very high96.5Very high80 Ų8053.9 Ų53.937%0.37428%0.275SS..Hα-helixtrans-67-46172.8-74.2168.5-1900111.8F189 T190 G191 M195 K196 Q197F189-Q193 HydrophobicContact CD1-CB 4.39Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 3.03Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.32Å; T190-Q193 PolarHBondContact OG1-N 2.96Å; T190-Q193 VanDerWaalsContact OG1-N 3.14Å; G191-Q193 VanDerWaalsContact C-N 3.3Å; G191-Q193 PolarHBondContact O-N 3.44Å; Q193-M195 PolarHBondContact O-N 3.02Å; Q193-K196 PolarHBondContact O-N 3.16Å; Q193-Q197 PolarHBondContact O-N 3.06Å
194L97.3Very high96.7Very high1 Ų151.6 Ų51.61%0.00526%0.262CS..Hα-helixtrans-63.8-27.3-179.1-69.9-178.1000113.7F135 V138 Y144 V146 F189 T190 G191 V199 I231F135-L194 HydrophobicContact CB-CB 4.28Å; F135-L194 HydrophobicContact CD2-CD2 4.09Å; F135-L194 HydrophobicContact CE2-CD2 4.47Å; V138-L194 HydrophobicContact CG1-CD1 4.49Å; V138-L194 HydrophobicContact CG2-CB 4.34Å; Y144-L194 HydrophobicContact CD2-CD1 4.04Å; Y144-L194 HydrophobicContact CG-CD1 4.07Å; V146-L194 HydrophobicContact CG2-CD1 4.11Å; V146-L194 HydrophobicContact CG2-CD2 4Å; F189-L194 HydrophobicContact CB-CD1 4.28Å; F189-L194 HydrophobicContact CB-CD2 3.8Å; F189-L194 HydrophobicContact CB-CG 3.74Å; F189-L194 HydrophobicContact CD1-CD2 4.16Å; F189-L194 HydrophobicContact CD2-CD2 3.74Å; F189-L194 HydrophobicContact CE2-CD2 4.25Å; F189-L194 HydrophobicContact CG-CD2 3.66Å; F189-L194 HydrophobicContact CG-CG 4.18Å; T190-L194 PolarHBondContact O-N 3.38Å; T190-L194 VanDerWaalsContact O-N 3.1Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-L194 VanDerWaalsContact O-N 3.14Å; L194-V199 HydrophobicContact CD2-CG2 3.61Å; L194-I231 HydrophobicContact CD1-CD1 3.64Å
195M96.1Very high96.7Very high89 Ų8954.6 Ų54.644%0.43828%0.275SS..Hα-helixtrans-79.9-20.6172.6-68.2-175.665.500113.7V138 Q140 G191 Q193V138-M195 HydrophobicContact CG2-CG 3.51Å; V138-M195 HydrophobicContact CG2-SD 4.03Å; Q140-M195 HydrophobicContact CG-SD 3.8Å; G191-M195 WeakPolarHBondContact O-CG 3.17Å; G191-M195 PolarHBondContact O-N 2.97Å; Q193-M195 PolarHBondContact O-N 3.02Å
196K96.3Very high96.8Very high146 Ų14651.4 Ų51.464%0.63525%0.254SS*.Hα-helixtrans-93.4-22.9-176.4-76.4174.1-178.2175.90114.3E192 Q193E192-K196 VanDerWaalsContact CD-CE 3.47Å; E192-K196 WeakPolarHBondContact O-CD 3.45Å; E192-K196 VanDerWaalsContact O-CG 3.26Å; E192-K196 WeakPolarHBondContact O-CG 3.32Å; E192-K196 PolarHBondContact O-N 3.21Å; E192-K196 WeakPolarHBondContact OE1-CE 3.27Å; E192-K196 IonicContact OE1-NZ 3.46Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 IonicContact OE2-NZ 3.21Å; E192-K196 PolarHBondContact OE2-NZ 3.23Å; Q193-K196 PolarHBondContact O-N 3.16Å
197Q95.2Very high96.9Very high106 Ų10647.2 Ų47.250%0.49523%0.232SC..SBendtrans-146.5148.5-175.670.8-174.1-0.400113.4Q193Q193-Q197 PolarHBondContact O-N 3.06Å
198M97.4Very high97.1Very high90 Ų9049.4 Ų49.444%0.44324%0.241SC..  trans-66.8142167.653.5155.7163.500111.9E103 R132 V133E103-M198 HydrophobicContact CG-CB 4.13Å; E103-M198 HydrophobicContact CG-SD 4.47Å; R132-M198 HydrophobicContact CB-SD 4.09Å; R132-M198 HydrophobicContact CG-SD 4.2Å; V133-M198 CarbonylContact O-C 3.6Å; V133-M198 VanDerWaalsContact O-CA 3.22Å; V133-M198 WeakPolarHBondContact O-CA 3.33Å; V133-M198 WeakPolarHBondContact O-CB 3.21Å
199V98.4Very high97.2Very high2 Ų248 Ų481%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-88.1133.2170.1-1780000109.1R132 V133 F135 V146 H184 F189 L194 F201R132-V199 WeakPolarHBondContact CA-O 3.49Å; V133-V199 HydrophobicContact CG2-CB 4.17Å; V133-V199 PolarHBondContact N-O 3.11Å; V133-V199 PolarHBondContact O-N 2.97Å; F135-V199 HydrophobicContact CD2-CG2 4.24Å; F135-V199 HydrophobicContact CE2-CB 4.4Å; F135-V199 HydrophobicContact CE2-CG2 3.96Å; V146-V199 HydrophobicContact CG1-CG1 4.05Å; H184-V199 HydrophobicContact CB-CG1 4.34Å; H184-V199 WeakPolarHBondContact CD2-CG1 3.21Å; F189-V199 HydrophobicContact CE2-CG1 4.31Å; F189-V199 HydrophobicContact CE2-CG2 4.15Å; F189-V199 HydrophobicContact CZ-CG1 4.22Å; F189-V199 HydrophobicContact CZ-CG2 4.01Å; L194-V199 HydrophobicContact CD2-CG2 3.61Å; V199-F201 HydrophobicContact CG1-CE2 4.35Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å
200S98.4Very high97.1Very high16 Ų1653.9 Ų53.911%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-122109.9-170.6179.40000112.8R132 H184 E202R132-S200 PolarHBondContact NH1-OG 2.99Å; R132-S200 VanDerWaalsContact NH1-OG 3.16Å; R132-S200 PolarHBondContact NH2-OG 2.74Å; H184-S200 PolarHBondContact NE2-O 3.21Å; S200-E202 PolarHBondContact O-N 2.8Å; S200-E202 WeakPolarHBondContact OG-CG 3.46Å; S200-E202 PolarHBondContact OG-OE2 3.12Å
201F98.4Very high96.9Very high1 Ų158.8 Ų58.80%0.00428%0.282CS..G310 helixtrans-78.627.9177.5-66.2-78.3000113.6I131 V133 V146 M148 Y182 H184 V199 K203 V204 V229I131-F201 HydrophobicContact CB-CB 4.44Å; I131-F201 HydrophobicContact CB-CD2 4.34Å; I131-F201 HydrophobicContact CG2-CD2 3.99Å; I131-F201 WeakPolarHBondContact O-CB 3.35Å; I131-F201 PolarHBondContact O-N 2.83Å; V133-F201 HydrophobicContact CG2-CE2 4.3Å; V146-F201 HydrophobicContact CG1-CZ 3.94Å; M148-F201 HydrophobicContact CB-CD1 3.87Å; M148-F201 HydrophobicContact CB-CE1 3.57Å; M148-F201 HydrophobicContact CB-CE2 4.43Å; M148-F201 HydrophobicContact CB-CG 4.42Å; M148-F201 HydrophobicContact CB-CZ 3.86Å; M148-F201 HydrophobicContact SD-CB 4.25Å; M148-F201 HydrophobicContact SD-CD1 4.3Å; M148-F201 HydrophobicContact SD-CD2 4.3Å; M148-F201 HydrophobicContact SD-CG 4.02Å; Y182-F201 AromaticContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CE1 4.17Å; Y182-F201 HydrophobicContact CE1-CD1 4Å; H184-F201 HydrophobicContact CB-CE1 4.2Å; V199-F201 HydrophobicContact CG1-CE2 4.35Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; F201-K203 PolarHBondContact O-N 2.93Å; F201-V204 HydrophobicContact CB-CG2 3.82Å; F201-V204 HydrophobicContact CD1-CG2 4.12Å; F201-V204 HydrophobicContact CG-CG2 4.45Å; F201-V204 VanDerWaalsContact O-CB 3.28Å; F201-V204 WeakPolarHBondContact O-CB 3.32Å; F201-V204 WeakPolarHBondContact O-CG2 3.41Å; F201-V204 PolarHBondContact O-N 3.32Å; F201-V229 HydrophobicContact CE2-CG1 4.08Å; F201-V229 HydrophobicContact CE2-CG2 3.97Å; F201-V229 HydrophobicContact CZ-CG1 4.21Å
202E97.6Very high96.9Very high68 Ų6859 Ų5932%0.31828%0.282SS..G310 helixtrans-64.1-21.5-178.261.6178-110.800114.8R126 T130 R132 S200 V204R126-E202 WeakPolarHBondContact CD-O 3.44Å; R126-E202 PolarHBondContact NE-O 3.04Å; T130-E202 HydrophobicContact CG2-CB 3.81Å; R132-E202 IonicContact CZ-OE2 3.58Å; R132-E202 IonicContact NH1-OE2 2.73Å; R132-E202 IonicContact NH2-OE2 3.68Å; R132-E202 PolarHBondContact NH2-OE2 3.32Å; S200-E202 PolarHBondContact O-N 2.8Å; S200-E202 WeakPolarHBondContact OG-CG 3.46Å; S200-E202 PolarHBondContact OG-OE2 3.12Å; E202-V204 VanDerWaalsContact C-N 3.34Å
203K97.2Very high96.7Very high94 Ų9463.8 Ų63.841%0.40931%0.305SS..G310 helixtrans-82-12.6176.9-68.5164.8-173.4164.80112.1Y182 P185 D186 F201Y182-K203 WeakPolarHBondContact OH-CB 3.34Å; P185-K203 HydrophobicContact CG-CD 3.64Å; D186-K203 IonicContact OD1-NZ 2.8Å; D186-K203 PolarHBondContact OD1-NZ 2.78Å; F201-K203 PolarHBondContact O-N 2.93Å
204V98.1Very high96.5Very high1 Ų166.7 Ų66.71%0.00632%0.318CS..  trans-62.1140.7175.4175.10000110.9R126 M127 M148 Y182 F201 E202 L206 I217R126-V204 WeakPolarHBondContact CA-O 3.19Å; M127-V204 HydrophobicContact CE-CB 4.31Å; M127-V204 HydrophobicContact CE-CG1 4.22Å; M127-V204 HydrophobicContact SD-CG1 4.38Å; M148-V204 HydrophobicContact CE-CG1 3.94Å; M148-V204 HydrophobicContact CE-CG2 4.02Å; Y182-V204 HydrophobicContact CD1-CG2 3.38Å; Y182-V204 HydrophobicContact CD2-CG2 4.05Å; Y182-V204 HydrophobicContact CE1-CG2 3.55Å; Y182-V204 HydrophobicContact CE2-CG2 4.2Å; Y182-V204 HydrophobicContact CG-CG2 3.65Å; F201-V204 HydrophobicContact CB-CG2 3.82Å; F201-V204 HydrophobicContact CD1-CG2 4.12Å; F201-V204 HydrophobicContact CG-CG2 4.45Å; F201-V204 VanDerWaalsContact O-CB 3.28Å; F201-V204 WeakPolarHBondContact O-CB 3.32Å; F201-V204 WeakPolarHBondContact O-CG2 3.41Å; F201-V204 PolarHBondContact O-N 3.32Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-L206 HydrophobicContact CG1-CD2 4.22Å; V204-I217 HydrophobicContact CG1-CD1 3.92Å
205K98.2Very high96.3Very high71 Ų7168.9 Ų68.931%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-132.1141.8173.1-78.9172.1158.7-161.50111.2S123 G124 R125 R126 H216 I217S123-K205 PolarHBondContact O-NZ 3.19Å; G124-K205 WeakPolarHBondContact O-CD 3.47Å; G124-K205 VanDerWaalsContact O-CE 3.26Å; G124-K205 WeakPolarHBondContact O-CE 3.37Å; R125-K205 CarbonylContact O-C 3.6Å; R125-K205 VanDerWaalsContact O-CA 3.28Å; R125-K205 WeakPolarHBondContact O-CA 3.44Å; R126-K205 HydrophobicContact CG-CG 4.3Å; K205-H216 HydrophobicContact CB-CB 4.44Å; K205-H216 VanDerWaalsContact CD-CD2 3.43Å; K205-H216 WeakPolarHBondContact CD-CD2 3.48Å; K205-H216 WeakPolarHBondContact CD-NE2 3.39Å; K205-H216 PolarHBondContact NZ-NE2 3.2Å; K205-I217 PolarHBondContact O-N 3.27Å
206L98.5Very high96.3Very high0 Ų065.7 Ų65.70%033%0.325CS..EExtended strand (participates in β ladder)trans-105.5133.6175.9-48.6-176.3000110.1M118 I120 G124 R125 M127 I150 V204 I217 L219 F259M118-L206 HydrophobicContact CB-CD1 3.92Å; M118-L206 HydrophobicContact CG-CD1 4.41Å; I120-L206 HydrophobicContact CG2-CB 3.78Å; I120-L206 HydrophobicContact CG2-CD1 4.48Å; G124-L206 WeakPolarHBondContact CA-O 3.45Å; R125-L206 PolarHBondContact N-O 2.84Å; R125-L206 PolarHBondContact O-N 2.84Å; M127-L206 HydrophobicContact CG-CD1 3.89Å; M127-L206 HydrophobicContact CG-CD2 4.27Å; M127-L206 HydrophobicContact CG-CG 3.97Å; M127-L206 HydrophobicContact SD-CD1 4.35Å; M127-L206 HydrophobicContact SD-CD2 4.29Å; I150-L206 HydrophobicContact CD1-CD2 3.56Å; V204-L206 HydrophobicContact CG1-CD2 4.22Å; L206-I217 CarbonylContact C-O 3.51Å; L206-I217 WeakPolarHBondContact CA-O 3.11Å; L206-I217 HydrophobicContact CD2-CB 4.12Å; L206-L219 HydrophobicContact CB-CD1 4.24Å; L206-L219 HydrophobicContact CD1-CD1 3.92Å; L206-L219 HydrophobicContact CD2-CD1 4.04Å; L206-L219 HydrophobicContact CG-CD1 4.28Å; L206-F259 HydrophobicContact CD1-CE2 3.97Å; L206-F259 HydrophobicContact CD1-CZ 3.82Å
207T98.3Very high96.3Very high0 Ų059.1 Ų59.10%030%0.296CS..EExtended strand (participates in β ladder)trans-132.3155.8-178.5-174.60000112.1T121 K122 N209 D212 H216 I217 I218 L219T121-T207 VanDerWaalsContact O-CA 3.32Å; T121-T207 WeakPolarHBondContact O-CA 3.43Å; T121-T207 WeakPolarHBondContact O-CB 3.4Å; T121-T207 PolarHBondContact O-OG1 2.85Å; K122-T207 PolarHBondContact O-OG1 3.07Å; T207-N209 WeakPolarHBondContact OG1-CB 3.49Å; T207-N209 PolarHBondContact OG1-N 3.2Å; T207-D212 HydrophobicContact CG2-CB 3.95Å; T207-H216 HydrophobicContact CG2-CB 3.67Å; T207-I217 PolarHBondContact N-O 2.95Å; T207-I218 HydrophobicContact CG2-CB 4.2Å; T207-I218 HydrophobicContact CG2-CG1 3.87Å; T207-I218 HydrophobicContact CG2-CG2 4.18Å; T207-I218 CarbonylContact O-C 3.55Å; T207-I218 WeakPolarHBondContact O-CA 3.38Å; T207-L219 PolarHBondContact O-N 3.15Å
208N97.1Very high96.4Very high72 Ų7254.5 Ų54.539%0.38528%0.275SS..  trans-104.613.1167.671.3-50.7000112.3I120 T121 K122I120-N208 HydrophobicContact CD1-CB 3.71Å; I120-N208 HydrophobicContact CG1-CB 3.98Å; T121-N208 VanDerWaalsContact C-OD1 3.25Å; K122-N208 PolarHBondContact N-OD1 3.02Å; K122-N208 VanDerWaalsContact N-OD1 3.08Å
209N96.6Very high96.4Very high39 Ų3950.4 Ų50.421%0.20926%0.255CS..  trans-90.7101.6176.9-177.829.3000110.2K122 T207 L211 D212 I218K122-N209 HydrophobicContact CG-CB 4.13Å; T207-N209 WeakPolarHBondContact OG1-CB 3.49Å; T207-N209 PolarHBondContact OG1-N 3.2Å; N209-L211 PolarHBondContact O-N 3.02Å; N209-L211 VanDerWaalsContact O-N 3.14Å; N209-L211 PolarHBondContact OD1-N 3.08Å; N209-D212 HydrophobicContact CB-CB 4.26Å; N209-D212 WeakPolarHBondContact ND2-CA 3.49Å; N209-D212 PolarHBondContact ND2-N 3.48Å; N209-D212 VanDerWaalsContact O-CB 3.32Å; N209-D212 WeakPolarHBondContact O-CB 3.43Å; N209-D212 PolarHBondContact O-N 2.89Å; N209-I218 WeakPolarHBondContact O-CD1 3.33Å; N209-I218 WeakPolarHBondContact O-CG2 3.39Å
210E93.9Very high96.4Very high130 Ų13051.3 Ų51.361%0.60726%0.26SS*.THydrogen-bonded Turntrans-54.6-29.6175.8-61.6178.7-164.500112.8L177 I218L177-E210 HydrophobicContact CD2-CG 3.92Å; E210-I218 WeakPolarHBondContact O-CD1 3.5Å
211L92.9Very high96.4Very high144 Ų14452 Ų5275%0.75427%0.265SS*.THydrogen-bonded Turntrans-99.330.6179.8-53.8179.6000112.6N209 Q213N209-L211 PolarHBondContact O-N 3.02Å; N209-L211 VanDerWaalsContact O-N 3.14Å; N209-L211 PolarHBondContact OD1-N 3.08Å; L211-Q213 PolarHBondContact O-N 3.18Å
212D94.4Very high96.4Very high3 Ų353.5 Ų53.52%0.01627%0.272CS..  trans-70.1120.4178.217981.8000112.6R180 T207 N209 H214 G215 H216 I218R180-D212 PolarHBondContact NH1-O 2.82Å; R180-D212 VanDerWaalsContact NH1-O 3.11Å; R180-D212 IonicContact NH1-OD2 2.7Å; R180-D212 PolarHBondContact NH1-OD2 3.43Å; R180-D212 VanDerWaalsContact NH1-OD2 3.09Å; R180-D212 PolarHBondContact NH2-O 3.41Å; T207-D212 HydrophobicContact CG2-CB 3.95Å; N209-D212 HydrophobicContact CB-CB 4.26Å; N209-D212 WeakPolarHBondContact ND2-CA 3.49Å; N209-D212 PolarHBondContact ND2-N 3.48Å; N209-D212 VanDerWaalsContact O-CB 3.32Å; N209-D212 WeakPolarHBondContact O-CB 3.43Å; N209-D212 PolarHBondContact O-N 2.89Å; D212-H214 IonicContact OD1-CE1 3.88Å; D212-H214 IonicContact OD1-CG 3.69Å; D212-H214 IonicContact OD1-ND1 2.82Å; D212-H214 PolarHBondContact OD1-ND1 3.02Å; D212-H214 PolarHBondContact OD2-N 2.81Å; D212-G215 PolarHBondContact OD2-N 2.98Å; D212-H216 IonicContact OD1-CE1 3.63Å; D212-H216 IonicContact OD1-CG 3.21Å; D212-H216 IonicContact OD1-ND1 3.42Å; D212-H216 PolarHBondContact OD1-ND1 2.79Å; D212-H216 WeakPolarHBondContact OD2-CB 3.38Å; D212-H216 IonicContact OD2-CG 3.66Å; D212-H216 PolarHBondContact OD2-N 2.85Å; D212-H216 IonicContact OD2-ND1 3.91Å; D212-I218 HydrophobicContact CB-CD1 4.38Å; D212-I218 HydrophobicContact CB-CG1 4.43Å
213Q93.9Very high96.5Very high187 Ų18750.6 Ų50.687%0.87426%0.258SS*.  trans-93.50.2179.9-64.9177.3-12.700113.9L211L211-Q213 PolarHBondContact O-N 3.18Å
214H93.2Very high96.5Very high141 Ų14148.9 Ų48.965%0.65325%0.251SS*.SBendtrans-95.31.5-172.8-48.696.5000113.7D212 H216D212-H214 IonicContact OD1-CE1 3.88Å; D212-H214 IonicContact OD1-CG 3.69Å; D212-H214 IonicContact OD1-ND1 2.82Å; D212-H214 PolarHBondContact OD1-ND1 3.02Å; D212-H214 PolarHBondContact OD2-N 2.81Å; H214-H216 VanDerWaalsContact C-N 3.29Å; H214-H216 WeakPolarHBondContact CB-CE1 3.45Å; H214-H216 AromaticContact CG-CE1 3.62Å; H214-H216 AromaticContact ND1-CE1 3.64Å; H214-H216 AromaticContact ND1-ND1 3.82Å; H214-H216 PolarHBondContact O-N 3.48Å
215G91.7Very high96.5Very high46 Ų4649.6 Ų49.647%0.47425%0.254SS..  trans72.317.7-173.800000114.1D212D212-G215 PolarHBondContact OD2-N 2.98Å
216H96.5Very high96.5Very high23 Ų2347.3 Ų47.311%0.10624%0.244CC..PPolyproline II helixtrans-65.3150.9172.1-56.8138.4000110.4S123 R180 K205 T207 D212 H214 I218S123-H216 PolarHBondContact O-CE1 3.06Å; R180-H216 WeakPolarHBondContact CD-O 3.4Å; R180-H216 PolarHBondContact NH1-O 3.4Å; K205-H216 HydrophobicContact CB-CB 4.44Å; K205-H216 VanDerWaalsContact CD-CD2 3.43Å; K205-H216 WeakPolarHBondContact CD-CD2 3.48Å; K205-H216 WeakPolarHBondContact CD-NE2 3.39Å; K205-H216 PolarHBondContact NZ-NE2 3.2Å; T207-H216 HydrophobicContact CG2-CB 3.67Å; D212-H216 IonicContact OD1-CE1 3.63Å; D212-H216 IonicContact OD1-CG 3.21Å; D212-H216 IonicContact OD1-ND1 3.42Å; D212-H216 PolarHBondContact OD1-ND1 2.79Å; D212-H216 WeakPolarHBondContact OD2-CB 3.38Å; D212-H216 IonicContact OD2-CG 3.66Å; D212-H216 PolarHBondContact OD2-N 2.85Å; D212-H216 IonicContact OD2-ND1 3.91Å; H214-H216 VanDerWaalsContact C-N 3.29Å; H214-H216 WeakPolarHBondContact CB-CE1 3.45Å; H214-H216 AromaticContact CG-CE1 3.62Å; H214-H216 AromaticContact ND1-CE1 3.64Å; H214-H216 AromaticContact ND1-ND1 3.82Å; H214-H216 PolarHBondContact O-N 3.48Å; H216-I218 PolarHBondContact O-N 3.29Å
217I96.8Very high96.5Very high7 Ų747.5 Ų47.54%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-75.6123175.4-54.8178.8000108.2M148 I150 V204 K205 L206 T207 L219M148-I217 HydrophobicContact CE-CD1 3.94Å; I150-I217 HydrophobicContact CB-CG2 4.3Å; I150-I217 HydrophobicContact CD1-CD1 3.77Å; I150-I217 HydrophobicContact CD1-CG2 4.23Å; I150-I217 HydrophobicContact CG1-CD1 3.97Å; I150-I217 HydrophobicContact CG1-CG2 4.47Å; V204-I217 HydrophobicContact CG1-CD1 3.92Å; K205-I217 PolarHBondContact O-N 3.27Å; L206-I217 CarbonylContact C-O 3.51Å; L206-I217 WeakPolarHBondContact CA-O 3.11Å; L206-I217 HydrophobicContact CD2-CB 4.12Å; T207-I217 PolarHBondContact N-O 2.95Å; I217-L219 HydrophobicContact CG2-CD2 4.04Å; I217-L219 HydrophobicContact CG2-CG 4.37Å
218I97.4Very high96.5Very high9 Ų948 Ų485%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-95.1130.7-177.6-38.9173.7000109.2L177 R180 T207 N209 E210 D212 H216L177-I218 HydrophobicContact CD1-CB 4.06Å; L177-I218 HydrophobicContact CD1-CG2 3.58Å; R180-I218 VanDerWaalsContact CZ-CD1 3.49Å; T207-I218 HydrophobicContact CG2-CB 4.2Å; T207-I218 HydrophobicContact CG2-CG1 3.87Å; T207-I218 HydrophobicContact CG2-CG2 4.18Å; T207-I218 CarbonylContact O-C 3.55Å; T207-I218 WeakPolarHBondContact O-CA 3.38Å; N209-I218 WeakPolarHBondContact O-CD1 3.33Å; N209-I218 WeakPolarHBondContact O-CG2 3.39Å; E210-I218 WeakPolarHBondContact O-CD1 3.5Å; D212-I218 HydrophobicContact CB-CD1 4.38Å; D212-I218 HydrophobicContact CB-CG1 4.43Å; H216-I218 PolarHBondContact O-N 3.29Å
219L97.8Very high96.5Very high4 Ų444.6 Ų44.62%0.02123%0.229CC..  trans-134.1146.8-177.6-57.4176.5000111I120 I150 L206 T207 I217 Y225 F259 A261I120-L219 WeakPolarHBondContact CD1-O 3.4Å; I120-L219 HydrophobicContact CG2-CD1 4.42Å; I150-L219 HydrophobicContact CB-CD2 4.42Å; I150-L219 HydrophobicContact CG2-CD2 3.92Å; L206-L219 HydrophobicContact CB-CD1 4.24Å; L206-L219 HydrophobicContact CD1-CD1 3.92Å; L206-L219 HydrophobicContact CD2-CD1 4.04Å; L206-L219 HydrophobicContact CG-CD1 4.28Å; T207-L219 PolarHBondContact O-N 3.15Å; I217-L219 HydrophobicContact CG2-CD2 4.04Å; I217-L219 HydrophobicContact CG2-CG 4.37Å; L219-Y225 HydrophobicContact CB-CD2 4.48Å; L219-Y225 HydrophobicContact CB-CE2 3.84Å; L219-Y225 HydrophobicContact CD1-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CE2 4.39Å; L219-Y225 HydrophobicContact CD2-CD1 3.8Å; L219-Y225 HydrophobicContact CD2-CD2 4.21Å; L219-Y225 HydrophobicContact CD2-CE1 3.65Å; L219-Y225 HydrophobicContact CD2-CE2 4.05Å; L219-Y225 HydrophobicContact CD2-CG 4.08Å; L219-Y225 HydrophobicContact CG-CE2 4.32Å; L219-F259 HydrophobicContact CD1-CE2 3.87Å; L219-F259 HydrophobicContact CD1-CZ 3.7Å; L219-A261 HydrophobicContact CB-CB 4.23Å; L219-A261 HydrophobicContact CD1-CB 4.23Å
220N97.9Very high96.5Very high21 Ų2142.8 Ų42.811%0.11222%0.219CC..  trans-77.3133.6170.2-71.2-25.7000109.6P175 L177 H223 Y225P175-N220 PolarHBondContact O-ND2 3.05Å; L177-N220 WeakPolarHBondContact CD1-OD1 3.29Å; L177-N220 WeakPolarHBondContact CG-OD1 3.32Å; N220-H223 WeakPolarHBondContact CB-ND1 3.47Å; N220-Y225 PolarHBondContact N-OH 2.99Å
221S98.3Very high96.5Very high32 Ų3236.6 Ų36.622%0.22419%0.19CC..THydrogen-bonded Turntrans-64.8149.9174.1-164.50000110.9H223 T263S221-H223 VanDerWaalsContact C-N 3.32Å; S221-H223 PolarHBondContact O-CE1 3.28Å; S221-H223 PolarHBondContact O-N 2.93Å; S221-H223 PolarHBondContact O-ND1 2.85Å; S221-T263 PolarHBondContact OG-N 3.13Å
222M98.3Very high96.4Very high31 Ų3129.8 Ų29.815%0.15316%0.155CC..THydrogen-bonded Turntrans63.229.4179.9-43.2-58.9-81.700115Y158 W167 A261 V262 Q266Y158-M222 WeakPolarHBondContact CB-O 3.45Å; Y158-M222 PolarHBondContact N-O 3.35Å; Y158-M222 WeakPolarHBondContact O-CB 3.39Å; W167-M222 HydrophobicContact CH2-CE 3.86Å; W167-M222 HydrophobicContact CH2-SD 4.34Å; W167-M222 HydrophobicContact CZ3-CE 3.66Å; W167-M222 HydrophobicContact CZ3-SD 4.49Å; M222-A261 WeakPolarHBondContact CA-O 3.36Å; M222-A261 PolarHBondContact N-O 2.96Å; M222-V262 HydrophobicContact SD-CG1 4.02Å; M222-Q266 HydrophobicContact CE-CG 4.29Å
223H98.6Very high96.1Very high7 Ų731 Ų313%0.03216%0.16CC..  trans-121.5152.9174.8-66.477.5000111.1K156 A173 D174 N220 S221 Y225 T260 A261K156-H223 PolarHBondContact O-CD2 3.41Å; K156-H223 VanDerWaalsContact O-CD2 3.32Å; A173-H223 VanDerWaalsContact CA-NE2 3.3Å; A173-H223 WeakPolarHBondContact CA-NE2 3.22Å; D174-H223 PolarHBondContact N-NE2 3.05Å; D174-H223 IonicContact OD2-CE1 2.64Å; D174-H223 PolarHBondContact OD2-CE1 3.16Å; D174-H223 VanDerWaalsContact OD2-CE1 3.31Å; N220-H223 WeakPolarHBondContact CB-ND1 3.47Å; S221-H223 VanDerWaalsContact C-N 3.32Å; S221-H223 PolarHBondContact O-CE1 3.28Å; S221-H223 PolarHBondContact O-N 2.93Å; S221-H223 PolarHBondContact O-ND1 2.85Å; H223-Y225 HydrophobicContact CB-CD2 4.47Å; H223-Y225 HydrophobicContact CB-CE2 3.67Å; H223-Y225 WeakPolarHBondContact O-CD2 3.33Å; H223-T260 WeakPolarHBondContact O-CA 3.17Å; H223-A261 PolarHBondContact O-N 2.74Å
224K98.4Very high95.6Very high58 Ų5825.4 Ų25.425%0.25213%0.133SC..EExtended strand (participates in β ladder)trans-93.6138.7178.9-73.4-174.8-178.6-178.60111.9P152 V153 Y158 F259P152-K224 WeakPolarHBondContact CA-O 3.3Å; V153-K224 HydrophobicContact CB-CB 3.92Å; V153-K224 HydrophobicContact CG2-CB 4.14Å; V153-K224 PolarHBondContact N-O 3.29Å; Y158-K224 HydrophobicContact CD2-CD 4.42Å; Y158-K224 HydrophobicContact CD2-CG 4.06Å; Y158-K224 HydrophobicContact CE2-CB 4.29Å; Y158-K224 HydrophobicContact CE2-CD 3.66Å; Y158-K224 HydrophobicContact CE2-CG 3.68Å; Y158-K224 VanDerWaalsContact CZ-CE 3.49Å; Y158-K224 PolarHBondContact OH-NZ 3.26Å; K224-F259 CarbonylContact C-O 3.59Å; K224-F259 WeakPolarHBondContact CA-O 3.37Å
225Y98.4Very high94.9Very high17 Ų1723.7 Ų23.77%0.06712%0.123CC..EExtended strand (participates in β ladder)trans-136.1142.1-173-71.4-73.7000112.3I150 V151 P152 L219 N220 H223 V258 F259 A261I150-Y225 HydrophobicContact CG2-CD1 3.9Å; I150-Y225 HydrophobicContact CG2-CG 3.96Å; V151-Y225 CarbonylContact O-C 3.45Å; V151-Y225 WeakPolarHBondContact O-CA 3.28Å; P152-Y225 HydrophobicContact CB-CD1 4.4Å; P152-Y225 HydrophobicContact CB-CE1 4.15Å; L219-Y225 HydrophobicContact CB-CD2 4.48Å; L219-Y225 HydrophobicContact CB-CE2 3.84Å; L219-Y225 HydrophobicContact CD1-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CE2 4.39Å; L219-Y225 HydrophobicContact CD2-CD1 3.8Å; L219-Y225 HydrophobicContact CD2-CD2 4.21Å; L219-Y225 HydrophobicContact CD2-CE1 3.65Å; L219-Y225 HydrophobicContact CD2-CE2 4.05Å; L219-Y225 HydrophobicContact CD2-CG 4.08Å; L219-Y225 HydrophobicContact CG-CE2 4.32Å; N220-Y225 PolarHBondContact N-OH 2.99Å; H223-Y225 HydrophobicContact CB-CD2 4.47Å; H223-Y225 HydrophobicContact CB-CE2 3.67Å; H223-Y225 WeakPolarHBondContact O-CD2 3.33Å; Y225-V258 WeakPolarHBondContact O-CA 3.21Å; Y225-F259 HydrophobicContact CD2-CE2 4.29Å; Y225-F259 HydrophobicContact CG-CZ 4.46Å; Y225-F259 PolarHBondContact N-O 3.46Å; Y225-F259 PolarHBondContact O-N 2.89Å; Y225-A261 HydrophobicContact CD2-CB 3.85Å; Y225-A261 HydrophobicContact CE2-CB 3.81Å
226Q98.3Very high93.5Very high23 Ų2327 Ų2711%0.10713%0.13CC..EExtended strand (participates in β ladder)trans-111.9112.7174.3173.56779.500108.4V151 V153 R228 V253 F254 T257 V258V151-Q226 HydrophobicContact CG2-CB 4.17Å; V151-Q226 PolarHBondContact N-O 3.05Å; V151-Q226 PolarHBondContact O-N 3.26Å; V153-Q226 HydrophobicContact CG2-CB 3.95Å; Q226-R228 HydrophobicContact CG-CG 4.39Å; Q226-V253 HydrophobicContact CG-CG1 3.56Å; Q226-F254 PolarHBondContact NE2-O 2.84Å; Q226-T257 PolarHBondContact NE2-OG1 3.07Å; Q226-V258 HydrophobicContact CB-CG2 4.28Å
227P98.2Very high91.5Very high3 Ų334.5 Ų34.52%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-61.6142.3163.9-20.832.5000111.3I131 D149 T257 F259I131-P227 HydrophobicContact CD1-CB 3.31Å; I131-P227 HydrophobicContact CD1-CG 3.6Å; D149-P227 WeakPolarHBondContact O-CA 3.34Å; P227-T257 VanDerWaalsContact CD-O 3.32Å; P227-T257 WeakPolarHBondContact CD-O 3.46Å; P227-F259 HydrophobicContact CG-CD1 4.13Å; P227-F259 HydrophobicContact CG-CE1 3.91Å
228R97.7Very high89.4Confident10 Ų1040.2 Ų40.24%0.03820%0.2CC..EExtended strand (participates in β ladder)trans-130.5135.4171-51-170.8-62.5165.3-2.8109.4I84 P85 M148 D149 V151 Q226 H230 T251 V253I84-R228 PolarHBondContact O-NH2 3.01Å; P85-R228 PolarHBondContact O-NH1 2.83Å; M148-R228 CarbonylContact C-O 3.53Å; M148-R228 VanDerWaalsContact CA-O 3.27Å; M148-R228 WeakPolarHBondContact CA-O 3.44Å; M148-R228 WeakPolarHBondContact CG-O 3.39Å; D149-R228 PolarHBondContact N-O 2.93Å; D149-R228 PolarHBondContact O-N 3.39Å; D149-R228 WeakPolarHBondContact OD1-CB 3.39Å; D149-R228 IonicContact OD1-CZ 2.73Å; D149-R228 IonicContact OD1-NE 2.75Å; D149-R228 PolarHBondContact OD1-NE 2.96Å; D149-R228 IonicContact OD1-NH2 3.5Å; D149-R228 PolarHBondContact OD1-NH2 3.09Å; D149-R228 IonicContact OD2-CZ 2.64Å; D149-R228 IonicContact OD2-NE 2.81Å; D149-R228 IonicContact OD2-NH2 3.54Å; D149-R228 PolarHBondContact OD2-NH2 3.29Å; V151-R228 HydrophobicContact CG2-CG 4.16Å; Q226-R228 HydrophobicContact CG-CG 4.39Å; R228-H230 WeakPolarHBondContact CB-NE2 3.48Å; R228-H230 PolarHBondContact O-CD2 3.25Å; R228-T251 HydrophobicContact CB-CG2 4.04Å; R228-V253 HydrophobicContact CB-CG2 4.49Å; R228-V253 HydrophobicContact CG-CG2 4.09Å
229V97.6Very high87.1Confident2 Ų241.5 Ų41.51%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-104134.3175.6178.30000108.4I131 V133 F135 V146 M148 F201 T251 F252I131-V229 HydrophobicContact CG2-CG2 4.06Å; V133-V229 HydrophobicContact CG1-CG2 4.35Å; V133-V229 HydrophobicContact CG2-CG1 4.29Å; F135-V229 HydrophobicContact CZ-CG1 4.03Å; V146-V229 HydrophobicContact CG1-CG1 4.43Å; M148-V229 HydrophobicContact CG-CG2 4.31Å; F201-V229 HydrophobicContact CE2-CG1 4.08Å; F201-V229 HydrophobicContact CE2-CG2 3.97Å; F201-V229 HydrophobicContact CZ-CG1 4.21Å; V229-T251 CarbonylContact O-C 3.59Å; V229-F252 PolarHBondContact N-O 2.89Å; V229-F252 PolarHBondContact O-N 2.79Å
230H95.2Very high84.9Confident0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-124.9138.1-176.4-50.5-93.2000110.2I84 V146 L147 D149 R228 R250 T251I84-H230 HydrophobicContact CD1-CB 4.04Å; I84-H230 WeakPolarHBondContact CD1-ND1 3.2Å; V146-H230 WeakPolarHBondContact CA-O 3.43Å; L147-H230 HydrophobicContact CD1-CB 3.79Å; L147-H230 HydrophobicContact CG-CB 4.07Å; L147-H230 PolarHBondContact N-O 3.04Å; L147-H230 PolarHBondContact O-N 3.04Å; D149-H230 IonicContact OD1-NE2 2.7Å; R228-H230 WeakPolarHBondContact CB-NE2 3.48Å; R228-H230 PolarHBondContact O-CD2 3.25Å; H230-R250 WeakPolarHBondContact CA-O 3.3Å; H230-T251 VanDerWaalsContact CE1-CG2 3.42Å; H230-T251 WeakPolarHBondContact CE1-CG2 3.34Å; H230-T251 PolarHBondContact CE1-OG1 2.84Å; H230-T251 PolarHBondContact ND1-OG1 3.49Å
231I94.1Very high82.9Confident0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-118.9134169.7-169.7170000108.8M95 I98 F135 V138 Y144 I145 V146 L194 F249 R250 F252M95-I231 HydrophobicContact CE-CG2 4.03Å; M95-I231 WeakPolarHBondContact CE-O 3.27Å; I98-I231 HydrophobicContact CD1-CG2 4.42Å; I98-I231 HydrophobicContact CG2-CD1 4.41Å; I98-I231 HydrophobicContact CG2-CG2 4.4Å; F135-I231 HydrophobicContact CD1-CD1 4.09Å; F135-I231 HydrophobicContact CE1-CB 4.16Å; F135-I231 HydrophobicContact CE1-CD1 4.16Å; F135-I231 HydrophobicContact CE1-CG2 4.44Å; V138-I231 HydrophobicContact CG1-CD1 3.99Å; Y144-I231 HydrophobicContact CD1-CD1 3.74Å; Y144-I231 HydrophobicContact CD1-CG1 3.73Å; Y144-I231 HydrophobicContact CE1-CD1 4.37Å; Y144-I231 HydrophobicContact CG-CD1 3.92Å; Y144-I231 HydrophobicContact CG-CG1 4.11Å; I145-I231 WeakPolarHBondContact O-CA 3.19Å; V146-I231 HydrophobicContact CG2-CD1 4.37Å; V146-I231 HydrophobicContact CG2-CG1 4.11Å; L194-I231 HydrophobicContact CD1-CD1 3.64Å; I231-F249 CarbonylContact O-C 3.6Å; I231-F249 VanDerWaalsContact O-CA 3.24Å; I231-F249 WeakPolarHBondContact O-CA 3.38Å; I231-R250 HydrophobicContact CG2-CB 4.05Å; I231-R250 PolarHBondContact N-O 2.88Å; I231-R250 PolarHBondContact O-N 2.87Å; I231-F252 HydrophobicContact CG2-CE2 3.75Å
232I91.4Very high80.8Confident1 Ų153.6 Ų53.61%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-123.1123.5-179.1-47.2-174.6000108.3Y144 I145 L147 K234 L244 E247 E248 F249Y144-I232 CarbonylContact C-O 3.54Å; Y144-I232 VanDerWaalsContact CA-O 3.27Å; Y144-I232 WeakPolarHBondContact CA-O 3.48Å; I145-I232 HydrophobicContact CB-CB 4.4Å; I145-I232 PolarHBondContact N-O 2.78Å; I145-I232 PolarHBondContact O-N 3.25Å; L147-I232 HydrophobicContact CD2-CD1 3.88Å; I232-K234 PolarHBondContact O-N 3.46Å; I232-L244 HydrophobicContact CD1-CD2 4.16Å; I232-E247 HydrophobicContact CG2-CB 3.58Å; I232-E247 HydrophobicContact CG2-CG 4.38Å; I232-E248 WeakPolarHBondContact CA-O 3.29Å; I232-F249 HydrophobicContact CB-CB 4.42Å; I232-F249 HydrophobicContact CG1-CB 3.85Å; I232-F249 HydrophobicContact CG2-CB 4.41Å
233K89.3Confident78.6Confident29 Ų2956.2 Ų56.213%0.12629%0.293CS..EExtended strand (participates in β ladder)trans-77.7118.2173.8-177.2166178.6157.90109.6E94 M95 D139 S142 Y144 E248E94-K233 VanDerWaalsContact OE1-CD 3.32Å; E94-K233 WeakPolarHBondContact OE1-CD 3.5Å; E94-K233 IonicContact OE1-NZ 2.65Å; E94-K233 PolarHBondContact OE1-NZ 3.49Å; E94-K233 IonicContact OE2-NZ 3.84Å; E94-K233 PolarHBondContact OE2-NZ 3.12Å; M95-K233 HydrophobicContact SD-CB 3.78Å; D139-K233 IonicContact OD2-NZ 2.68Å; D139-K233 PolarHBondContact OD2-NZ 2.87Å; S142-K233 WeakPolarHBondContact OG-CE 3.38Å; S142-K233 PolarHBondContact OG-NZ 3.02Å; Y144-K233 HydrophobicContact CD1-CB 4.02Å; Y144-K233 HydrophobicContact CD1-CG 4.46Å; Y144-K233 HydrophobicContact CE1-CB 3.73Å; Y144-K233 HydrophobicContact CE1-CD 4.24Å; Y144-K233 HydrophobicContact CE1-CG 3.97Å; K233-E248 PolarHBondContact N-O 2.83Å
234K83.6Confident76.6Confident70 Ų7056.9 Ų56.930%0.30430%0.297SS..PPolyproline II helixtrans-76.2128.4179.2-170.2-177.4-178.6-174.50109.9K143 I232 A239K143-K234 HydrophobicContact CB-CB 4.3Å; K143-K234 WeakPolarHBondContact O-CB 3.49Å; K143-K234 PolarHBondContact O-N 3.31Å; I232-K234 PolarHBondContact O-N 3.46Å; K234-A239 HydrophobicContact CD-CB 4.28Å; K234-A239 HydrophobicContact CG-CB 3.63Å
235K77.3Confident74.4Confident104 Ų10464.1 Ų64.145%0.45233%0.328SS..PPolyproline II helixtrans-94.6136.6167.9-63.3178.3-179.51770109H237 E248K235-H237 VanDerWaalsContact C-N 3.27Å; K235-H237 PolarHBondContact O-N 2.81Å; K235-E248 VanDerWaalsContact CE-OE1 3.25Å; K235-E248 WeakPolarHBondContact CE-OE1 3.39Å; K235-E248 IonicContact NZ-OE1 2.74Å; K235-E248 PolarHBondContact NZ-OE1 2.89Å
236D63.1Low72.2Confident116 Ų11666.5 Ų66.562%0.6235%0.347SS*.THydrogen-bonded Turntrans-67.5-12.1-157.6-84.6-59.7000117.1
237H54.7Low70.6Confident181 Ų18166.3 Ų66.384%0.83835%0.346SS*.THydrogen-bonded Turntrans-121-16.9-171.5-62.5-23.6000116.1K235K235-H237 VanDerWaalsContact C-N 3.27Å; K235-H237 PolarHBondContact O-N 2.81Å
238T52.8Low69.6Low127 Ų12769 Ų6978%0.77936%0.359SS*.  trans-150.292.517826.10000110.7
239A47.5Very low69Low35 Ų3570.8 Ų70.829%0.28937%0.367SS..  trans-140.888177.900000109.5K234 E247K234-A239 HydrophobicContact CD-CB 4.28Å; K234-A239 HydrophobicContact CG-CB 3.63Å; A239-E247 VanDerWaalsContact CA-OE1 3.29Å; A239-E247 WeakPolarHBondContact CA-OE1 3.42Å; A239-E247 VanDerWaalsContact CB-OE1 3.3Å; A239-E247 WeakPolarHBondContact CB-OE1 3.46Å
240S53Low68.6Low68 Ų6873.7 Ų73.748%0.47638%0.378SS..  trans-109.6132169.7176.60000107.8L242 N243S240-L242 PolarHBondContact O-N 2.9Å; S240-N243 PolarHBondContact O-N 3.48Å
241L55Low68.6Low81 Ų8175.1 Ų75.142%0.42439%0.386SS..THydrogen-bonded Turntrans-58.70.4178.4-68.1172.3000114.4I145 V183 L244I145-L241 HydrophobicContact CD1-CD2 4.02Å; I145-L241 HydrophobicContact CG2-CD2 4.38Å; V183-L241 HydrophobicContact CG2-CD1 4.04Å; L241-L244 WeakPolarHBondContact O-CD1 3.01Å
242L53.7Low68.7Low162 Ų16276.1 Ų76.185%0.84839%0.391SS*.THydrogen-bonded Turntrans-87.7-8.3173.5-56.7179.4000113.3S240S240-L242 PolarHBondContact O-N 2.9Å
243N53.3Low69Low86 Ų8679.5 Ų79.546%0.4641%0.411SS..  trans-126.446.4-173.2-154.44.7000114.7S240 K245 S246S240-N243 PolarHBondContact O-N 3.48Å; N243-K245 PolarHBondContact O-N 3.44Å; N243-S246 PolarHBondContact ND2-OG 3.22Å; N243-S246 VanDerWaalsContact ND2-OG 3.17Å; N243-S246 PolarHBondContact O-N 2.73Å; N243-S246 PolarHBondContact O-OG 2.91Å
244L56.8Low69.4Low22 Ų2279.5 Ų79.512%0.11541%0.411CS..THydrogen-bonded Turntrans-57.9-12.3175-62.594.8000114.1I84 L181 I232 L241 S246I84-L244 HydrophobicContact CD1-CD2 3.74Å; I84-L244 HydrophobicContact CG1-CD2 3.45Å; I84-L244 VanDerWaalsContact CG1-CD2 3.45Å; L181-L244 HydrophobicContact CD1-CD2 4.06Å; I232-L244 HydrophobicContact CD1-CD2 4.16Å; L241-L244 WeakPolarHBondContact O-CD1 3.01Å; L244-S246 PolarHBondContact O-N 2.99Å
245K50.7Low70.1Confident210 Ų21080.8 Ų80.891%0.91343%0.425SS*.THydrogen-bonded Turntrans-75-9.1171.6-63.7-173.3178.3-1760113.6N243N243-K245 PolarHBondContact O-N 3.44Å
246S52.5Low71.1Confident67 Ų6776.8 Ų76.847%0.46941%0.408SS..THydrogen-bonded Turntrans-122.1-12.2-177.369.50000114.4N243 L244N243-S246 PolarHBondContact ND2-OG 3.22Å; N243-S246 VanDerWaalsContact ND2-OG 3.17Å; N243-S246 PolarHBondContact O-N 2.73Å; N243-S246 PolarHBondContact O-OG 2.91Å; L244-S246 PolarHBondContact O-N 2.99Å
247E65.8Low72.8Confident18 Ų1871.3 Ų71.38%0.08438%0.378CS..SBendtrans-93.6142.8178.8-62.6-176.4133.300110.7I232 A239 F249I232-E247 HydrophobicContact CG2-CB 3.58Å; I232-E247 HydrophobicContact CG2-CG 4.38Å; A239-E247 VanDerWaalsContact CA-OE1 3.29Å; A239-E247 WeakPolarHBondContact CA-OE1 3.42Å; A239-E247 VanDerWaalsContact CB-OE1 3.3Å; A239-E247 WeakPolarHBondContact CB-OE1 3.46Å; E247-F249 PolarHBondContact O-N 3.41Å
248E76.3Confident74.9Confident61 Ų6164.1 Ų64.129%0.28535%0.347SS..EExtended strand (participates in β ladder)trans-79.7106176.6-76.8173.3-128.500109.6S92 M95 I232 K233 K235S92-E248 WeakPolarHBondContact CB-OE2 3.41Å; S92-E248 PolarHBondContact OG-OE2 2.91Å; M95-E248 WeakPolarHBondContact CE-O 3.48Å; M95-E248 HydrophobicContact CG-CB 4.05Å; I232-E248 WeakPolarHBondContact CA-O 3.29Å; K233-E248 PolarHBondContact N-O 2.83Å; K235-E248 VanDerWaalsContact CE-OE1 3.25Å; K235-E248 WeakPolarHBondContact CE-OE1 3.39Å; K235-E248 IonicContact NZ-OE1 2.74Å; K235-E248 PolarHBondContact NZ-OE1 2.89Å
249F84.8Confident77.1Confident46 Ų4658.2 Ų58.220%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-115.5153.6178.274.7-91.8000112.4I84 I231 I232 E247I84-F249 HydrophobicContact CG2-CD2 4.1Å; I84-F249 HydrophobicContact CG2-CE2 3.47Å; I84-F249 VanDerWaalsContact CG2-CE2 3.47Å; I84-F249 HydrophobicContact CG2-CZ 3.87Å; I231-F249 CarbonylContact O-C 3.6Å; I231-F249 VanDerWaalsContact O-CA 3.24Å; I231-F249 WeakPolarHBondContact O-CA 3.38Å; I232-F249 HydrophobicContact CB-CB 4.42Å; I232-F249 HydrophobicContact CG1-CB 3.85Å; I232-F249 HydrophobicContact CG2-CB 4.41Å; E247-F249 PolarHBondContact O-N 3.41Å
250R90.5Very high79.5Confident64 Ų6456.8 Ų56.824%0.24230%0.298CS..EExtended strand (participates in β ladder)trans-128.1138.7167.4-179.8167.3178.4165.50.1110.1M95 A96 I98 H230 I231 F252M95-R250 HydrophobicContact CE-CB 3.88Å; M95-R250 WeakPolarHBondContact O-CD 3.23Å; M95-R250 PolarHBondContact O-NH1 3.45Å; A96-R250 PolarHBondContact O-NH1 2.78Å; I98-R250 PolarHBondContact O-NE 3.02Å; I98-R250 PolarHBondContact O-NH1 3Å; H230-R250 WeakPolarHBondContact CA-O 3.3Å; I231-R250 HydrophobicContact CG2-CB 4.05Å; I231-R250 PolarHBondContact N-O 2.88Å; I231-R250 PolarHBondContact O-N 2.87Å; R250-F252 HydrophobicContact CB-CE2 4.4Å; R250-F252 HydrophobicContact CB-CZ 4.5Å; R250-F252 HydrophobicContact CG-CE1 4.2Å; R250-F252 HydrophobicContact CG-CE2 3.95Å; R250-F252 HydrophobicContact CG-CZ 3.73Å; R250-F252 VanDerWaalsContact NE-CE1 3.31Å
251T93.8Very high81.7Confident30 Ų3053.5 Ų53.518%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-107.3135.8178.6-56.90000110R228 V229 H230 V253R228-T251 HydrophobicContact CB-CG2 4.04Å; V229-T251 CarbonylContact O-C 3.59Å; H230-T251 VanDerWaalsContact CE1-CG2 3.42Å; H230-T251 WeakPolarHBondContact CE1-CG2 3.34Å; H230-T251 PolarHBondContact CE1-OG1 2.84Å; H230-T251 PolarHBondContact ND1-OG1 3.49Å; T251-V253 HydrophobicContact CG2-CG2 3.99Å
252F96.6Very high83.8Confident20 Ų2049.7 Ų49.79%0.08826%0.256CS..EExtended strand (participates in β ladder)trans-118.2136.1172.7-57.2-83.3000109.2I98 C100 F135 V229 I231 R250 F254I98-F252 HydrophobicContact CG2-CZ 4.04Å; I98-F252 WeakPolarHBondContact O-CZ 3.49Å; C100-F252 HydrophobicContact CB-CB 4.15Å; C100-F252 HydrophobicContact CB-CD1 3.44Å; C100-F252 VanDerWaalsContact CB-CD1 3.44Å; C100-F252 HydrophobicContact CB-CD2 3.63Å; C100-F252 HydrophobicContact CB-CE1 3.58Å; C100-F252 HydrophobicContact CB-CE2 3.77Å; C100-F252 HydrophobicContact CB-CG 3.45Å; C100-F252 VanDerWaalsContact CB-CG 3.45Å; C100-F252 HydrophobicContact CB-CZ 3.74Å; F135-F252 HydrophobicContact CD1-CE2 4.36Å; F135-F252 HydrophobicContact CE1-CD2 4.17Å; F135-F252 AromaticContact CE1-CE2 3.87Å; F135-F252 HydrophobicContact CE1-CE2 3.87Å; V229-F252 PolarHBondContact N-O 2.89Å; V229-F252 PolarHBondContact O-N 2.79Å; I231-F252 HydrophobicContact CG2-CE2 3.75Å; R250-F252 HydrophobicContact CB-CE2 4.4Å; R250-F252 HydrophobicContact CB-CZ 4.5Å; R250-F252 HydrophobicContact CG-CE1 4.2Å; R250-F252 HydrophobicContact CG-CE2 3.95Å; R250-F252 HydrophobicContact CG-CZ 3.73Å; R250-F252 VanDerWaalsContact NE-CE1 3.31Å; F252-F254 HydrophobicContact CB-CE2 4.21Å; F252-F254 HydrophobicContact CB-CZ 4.31Å
253V97.7Very high85.9Confident72 Ų7245.9 Ų45.944%0.43624%0.239SC..EExtended strand (participates in β ladder)trans-131.8121.2-175-172.60000108.1Q226 R228 T251Q226-V253 HydrophobicContact CG-CG1 3.56Å; R228-V253 HydrophobicContact CB-CG2 4.49Å; R228-V253 HydrophobicContact CG-CG2 4.09Å; T251-V253 HydrophobicContact CG2-CG2 3.99Å
254F98.3Very high88.1Confident29 Ų2944.4 Ų44.413%0.12724%0.239CC..  trans-109.4106.1-179.6-60.1-72.4000107.9C100 L102 V133 Q226 F252 E256 T257C100-F254 HydrophobicContact CB-CZ 4.34Å; L102-F254 HydrophobicContact CB-CD1 3.75Å; L102-F254 HydrophobicContact CB-CD2 4.35Å; L102-F254 HydrophobicContact CB-CE1 3.85Å; L102-F254 HydrophobicContact CB-CE2 4.44Å; L102-F254 HydrophobicContact CB-CG 4.01Å; L102-F254 HydrophobicContact CB-CZ 4.19Å; L102-F254 HydrophobicContact CD1-CD2 4.34Å; L102-F254 HydrophobicContact CD1-CG 4.49Å; L102-F254 HydrophobicContact CD2-CB 4.1Å; L102-F254 HydrophobicContact CD2-CG 4.3Å; V133-F254 HydrophobicContact CG1-CE2 3.84Å; V133-F254 HydrophobicContact CG1-CZ 4.34Å; Q226-F254 PolarHBondContact NE2-O 2.84Å; F252-F254 HydrophobicContact CB-CE2 4.21Å; F252-F254 HydrophobicContact CB-CZ 4.31Å; F254-E256 VanDerWaalsContact CA-OE2 3.28Å; F254-E256 WeakPolarHBondContact CA-OE2 3.5Å; F254-E256 WeakPolarHBondContact CB-OE2 3.41Å; F254-E256 PolarHBondContact O-N 2.96Å; F254-T257 HydrophobicContact CB-CG2 3.75Å; F254-T257 WeakPolarHBondContact O-CB 3.49Å; F254-T257 PolarHBondContact O-N 3.19Å; F254-T257 PolarHBondContact O-OG1 3.07Å
255V98.1Very high90.1Very high98 Ų9846.2 Ų46.259%0.59425%0.245SC*.G310 helixtrans-64.9-28.4-171.8-63.10000112.7H112 T257 V258H112-V255 PolarHBondContact CE1-O 3.35Å; H112-V255 PolarHBondContact ND1-O 3.14Å; V255-T257 PolarHBondContact O-N 3.24Å; V255-V258 WeakPolarHBondContact O-CB 3.48Å; V255-V258 VanDerWaalsContact O-CG2 3.3Å; V255-V258 WeakPolarHBondContact O-CG2 3.34Å; V255-V258 PolarHBondContact O-N 3.03Å
256E98.3Very high92.4Very high19 Ų1937.7 Ų37.79%0.08921%0.208CC..G310 helixtrans-61.8-26.817360.1-89-107.500112.4L102 K105 W108 D109 H112 F254 V258L102-E256 HydrophobicContact CD2-CG 3.56Å; K105-E256 WeakPolarHBondContact CE-OE1 3.44Å; K105-E256 WeakPolarHBondContact CG-OE1 3.41Å; K105-E256 IonicContact NZ-OE1 3.37Å; K105-E256 PolarHBondContact NZ-OE1 2.67Å; W108-E256 HydrophobicContact CB-CB 4.37Å; W108-E256 HydrophobicContact CB-CG 3.96Å; D109-E256 WeakPolarHBondContact OD1-CB 3.28Å; H112-E256 HydrophobicContact CB-CB 4.35Å; H112-E256 WeakPolarHBondContact ND1-CA 3.07Å; H112-E256 PolarHBondContact ND1-O 3.19Å; H112-E256 VanDerWaalsContact ND1-O 3.11Å; F254-E256 VanDerWaalsContact CA-OE2 3.28Å; F254-E256 WeakPolarHBondContact CA-OE2 3.5Å; F254-E256 WeakPolarHBondContact CB-OE2 3.41Å; F254-E256 PolarHBondContact O-N 2.96Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 3.1Å
257T98.8Very high94.5Very high1 Ų135.1 Ų35.11%0.00619%0.189CC..G310 helixtrans-80-1.9-179.4710000114.4L102 W108 Q226 P227 F254 V255 F259L102-T257 HydrophobicContact CD1-CG2 4.07Å; L102-T257 HydrophobicContact CD2-CG2 3.68Å; W108-T257 HydrophobicContact CD2-CG2 3.87Å; W108-T257 HydrophobicContact CE3-CG2 3.93Å; W108-T257 HydrophobicContact CG-CG2 4.37Å; W108-T257 HydrophobicContact CH2-CG2 4.35Å; W108-T257 HydrophobicContact CZ2-CG2 4.32Å; W108-T257 HydrophobicContact CZ3-CG2 4.16Å; Q226-T257 PolarHBondContact NE2-OG1 3.07Å; P227-T257 VanDerWaalsContact CD-O 3.32Å; P227-T257 WeakPolarHBondContact CD-O 3.46Å; F254-T257 HydrophobicContact CB-CG2 3.75Å; F254-T257 WeakPolarHBondContact O-CB 3.49Å; F254-T257 PolarHBondContact O-N 3.19Å; F254-T257 PolarHBondContact O-OG1 3.07Å; V255-T257 PolarHBondContact O-N 3.24Å; T257-F259 PolarHBondContact O-N 3.22Å
258V98.8Very high96Very high31 Ų3140 Ų4019%0.18821%0.212CC..  trans-56.7133.9172.2170.30000110.6T116 V153 Y225 Q226 V255 E256T116-V258 WeakPolarHBondContact CB-O 3.49Å; T116-V258 PolarHBondContact OG1-O 3.1Å; V153-V258 HydrophobicContact CG2-CG1 4.07Å; V153-V258 HydrophobicContact CG2-CG2 4.31Å; Y225-V258 WeakPolarHBondContact O-CA 3.21Å; Q226-V258 HydrophobicContact CB-CG2 4.28Å; V255-V258 WeakPolarHBondContact O-CB 3.48Å; V255-V258 VanDerWaalsContact O-CG2 3.3Å; V255-V258 WeakPolarHBondContact O-CG2 3.34Å; V255-V258 PolarHBondContact O-N 3.03Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 3.1Å
259F98.9Very high97Very high2 Ų242 Ų421%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-140.7159.4178.770.6-89.8000113.2T116 M118 I150 L206 L219 K224 Y225 P227 T257 A261T116-F259 HydrophobicContact CG2-CB 3.7Å; T116-F259 CarbonylContact O-C 3.58Å; T116-F259 WeakPolarHBondContact O-CA 3.09Å; T116-F259 WeakPolarHBondContact O-CB 3.48Å; M118-F259 HydrophobicContact CB-CD2 3.48Å; M118-F259 VanDerWaalsContact CB-CD2 3.48Å; M118-F259 HydrophobicContact CB-CE2 3.72Å; M118-F259 HydrophobicContact CB-CG 4.14Å; M118-F259 HydrophobicContact CG-CB 3.86Å; M118-F259 HydrophobicContact CG-CD1 4.08Å; M118-F259 HydrophobicContact CG-CD2 3.39Å; M118-F259 HydrophobicContact CG-CE2 3.89Å; M118-F259 HydrophobicContact CG-CG 3.51Å; M118-F259 HydrophobicContact CG-CZ 4.41Å; I150-F259 HydrophobicContact CD1-CE1 4.33Å; I150-F259 HydrophobicContact CD1-CZ 4.25Å; I150-F259 HydrophobicContact CG2-CE1 4.2Å; I150-F259 HydrophobicContact CG2-CZ 4.12Å; L206-F259 HydrophobicContact CD1-CE2 3.97Å; L206-F259 HydrophobicContact CD1-CZ 3.82Å; L219-F259 HydrophobicContact CD1-CE2 3.87Å; L219-F259 HydrophobicContact CD1-CZ 3.7Å; K224-F259 CarbonylContact C-O 3.59Å; K224-F259 WeakPolarHBondContact CA-O 3.37Å; Y225-F259 HydrophobicContact CD2-CE2 4.29Å; Y225-F259 HydrophobicContact CG-CZ 4.46Å; Y225-F259 PolarHBondContact N-O 3.46Å; Y225-F259 PolarHBondContact O-N 2.89Å; P227-F259 HydrophobicContact CG-CD1 4.13Å; P227-F259 HydrophobicContact CG-CE1 3.91Å; T257-F259 PolarHBondContact O-N 3.22Å; F259-A261 HydrophobicContact CE2-CB 4.07Å
260T98.8Very high97.7Very high5 Ų539.8 Ų39.83%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-96.3124.7166.1-48.50000109.2T116 E117 M118 W167 H223 V262T116-T260 PolarHBondContact O-N 3.21Å; E117-T260 WeakPolarHBondContact CA-O 3.24Å; M118-T260 PolarHBondContact N-O 3.19Å; W167-T260 HydrophobicContact CH2-CG2 3.67Å; W167-T260 HydrophobicContact CZ2-CG2 4.01Å; W167-T260 HydrophobicContact CZ3-CG2 3.95Å; H223-T260 WeakPolarHBondContact O-CA 3.17Å; T260-V262 HydrophobicContact CG2-CG1 4.28Å
261A98.7Very high98Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-74.3131.8174.600000109.6I120 L219 M222 H223 Y225 F259I120-A261 HydrophobicContact CD1-CB 4.3Å; I120-A261 HydrophobicContact CG2-CB 4.07Å; L219-A261 HydrophobicContact CB-CB 4.23Å; L219-A261 HydrophobicContact CD1-CB 4.23Å; M222-A261 WeakPolarHBondContact CA-O 3.36Å; M222-A261 PolarHBondContact N-O 2.96Å; H223-A261 PolarHBondContact O-N 2.74Å; Y225-A261 HydrophobicContact CD2-CB 3.85Å; Y225-A261 HydrophobicContact CE2-CB 3.81Å; F259-A261 HydrophobicContact CE2-CB 4.07Å
262V98.9Very high98.2Very high0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-141.9153.1-176.6-62.90000111.5E117 M118 I119 I120 W167 M222 T260 A264 Y265 Q266E117-V262 HydrophobicContact CB-CG2 3.98Å; M118-V262 PolarHBondContact O-N 3.42Å; I119-V262 CarbonylContact C-O 3.6Å; I119-V262 VanDerWaalsContact CA-O 3.24Å; I119-V262 WeakPolarHBondContact CA-O 3.46Å; I119-V262 HydrophobicContact CD1-CG2 4.16Å; I120-V262 PolarHBondContact N-O 2.87Å; W167-V262 HydrophobicContact CH2-CG1 3.85Å; W167-V262 HydrophobicContact CZ2-CG1 4.24Å; M222-V262 HydrophobicContact SD-CG1 4.02Å; T260-V262 HydrophobicContact CG2-CG1 4.28Å; V262-A264 WeakPolarHBondContact CB-O 3.38Å; V262-Y265 HydrophobicContact CG2-CD1 4.38Å; V262-Q266 HydrophobicContact CG1-CG 4.33Å
263T98.6Very high98.2Very high82 Ų8243.7 Ų43.750%0.50323%0.234SC..SBendtrans-85.4-25.1172.944.70000113I120 S221I120-T263 HydrophobicContact CG1-CG2 4.26Å; S221-T263 PolarHBondContact OG-N 3.13Å
264A98.5Very high98.2Very high55 Ų5540.6 Ų40.646%0.45522%0.215SC..SBendtrans-146.8149171.900000109V262 Q266V262-A264 WeakPolarHBondContact CB-O 3.38Å; A264-Q266 PolarHBondContact O-NE2 3.13Å
265Y98.7Very high98.2Very high61 Ų6141.1 Ų41.124%0.23922%0.219CC..  trans-63.1140.3-178.8-64-56.5000111.9E117 I119 V262 I270 T271 K274E117-Y265 HydrophobicContact CB-CD1 3.94Å; E117-Y265 HydrophobicContact CB-CE1 4.27Å; E117-Y265 WeakPolarHBondContact OE2-CA 3.37Å; I119-Y265 HydrophobicContact CD1-CD1 3.97Å; I119-Y265 HydrophobicContact CD1-CD2 4.21Å; I119-Y265 HydrophobicContact CD1-CE1 3.95Å; I119-Y265 HydrophobicContact CD1-CE2 4.19Å; I119-Y265 HydrophobicContact CD1-CG 4.09Å; I119-Y265 HydrophobicContact CG1-CD1 4.15Å; I119-Y265 HydrophobicContact CG1-CD2 4.47Å; I119-Y265 HydrophobicContact CG1-CE1 3.59Å; I119-Y265 HydrophobicContact CG1-CE2 3.95Å; I119-Y265 VanDerWaalsContact CG1-CZ 3.47Å; V262-Y265 HydrophobicContact CG2-CD1 4.38Å; Y265-I270 HydrophobicContact CD1-CG2 4.09Å; Y265-I270 HydrophobicContact CE1-CG2 4.23Å; Y265-T271 WeakPolarHBondContact CB-OG1 3.17Å; Y265-T271 HydrophobicContact CD2-CG2 4.34Å; Y265-K274 HydrophobicContact CE1-CD 4.34Å; Y265-K274 HydrophobicContact CE1-CG 4.17Å; Y265-K274 HydrophobicContact CE2-CG 4.12Å; Y265-K274 WeakPolarHBondContact OH-CD 3.4Å; Y265-K274 WeakPolarHBondContact OH-CE 3.4Å
266Q98.6Very high98.1Very high30 Ų3039.9 Ų39.914%0.1421%0.209CC..  trans-102.3-50.7179.9-51.6-64.5-76.400110.9E117 Y160 Y162 W167 M222 V262 A264 Q268E117-Q266 PolarHBondContact OE1-N 2.8Å; E117-Q266 PolarHBondContact OE2-N 3.21Å; Y160-Q266 HydrophobicContact CD1-CB 3.83Å; Y160-Q266 HydrophobicContact CD2-CB 4.15Å; Y160-Q266 HydrophobicContact CG-CB 3.61Å; Y162-Q266 WeakPolarHBondContact CE1-O 3.42Å; Y162-Q266 PolarHBondContact OH-OE1 2.95Å; W167-Q266 HydrophobicContact CH2-CB 4.32Å; W167-Q266 HydrophobicContact CH2-CG 3.73Å; W167-Q266 HydrophobicContact CZ2-CB 4.13Å; W167-Q266 HydrophobicContact CZ2-CG 3.99Å; M222-Q266 HydrophobicContact CE-CG 4.29Å; V262-Q266 HydrophobicContact CG1-CG 4.33Å; A264-Q266 PolarHBondContact O-NE2 3.13Å; Q266-Q268 PolarHBondContact O-N 3.16Å
267N97.9Very high98Very high14 Ų1440.8 Ų40.88%0.07522%0.217CC..  trans-80.3115.3175-175.8-2000111L114 E117 Y160 L269 I270 T271L114-N267 PolarHBondContact O-ND2 2.96Å; E117-N267 WeakPolarHBondContact OE1-CB 3.33Å; E117-N267 PolarHBondContact OE1-N 3.37Å; Y160-N267 HydrophobicContact CE2-CB 4.01Å; N267-L269 PolarHBondContact O-N 3.49Å; N267-L269 WeakPolarHBondContact OD1-CB 3.39Å; N267-L269 PolarHBondContact OD1-N 2.79Å; N267-I270 HydrophobicContact CB-CB 4.29Å; N267-I270 HydrophobicContact CB-CG1 3.86Å; N267-I270 WeakPolarHBondContact O-CB 3.39Å; N267-I270 PolarHBondContact O-N 3.16Å; N267-T271 PolarHBondContact O-N 3.14Å; N267-T271 VanDerWaalsContact O-N 3.15Å
268Q97.1Very high97.8Very high120 Ų12042 Ų4256%0.56122%0.224SC*.Hα-helixtrans-67.5-21.4179.4-60.6-56.3-21.200113.8Q266 I270 T271 K272Q266-Q268 PolarHBondContact O-N 3.16Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; Q268-T271 WeakPolarHBondContact O-CB 3.28Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 PolarHBondContact OE1-OG1 2.82Å; Q268-T271 VanDerWaalsContact OE1-OG1 3.07Å; Q268-K272 PolarHBondContact O-N 2.92Å
269L97.7Very high97.6Very high102 Ų10245 Ų4553%0.53424%0.244SC..Hα-helixtrans-68-36.2171.4-57.4178.8000111.1L114 N267 L273L114-L269 HydrophobicContact CD1-CB 4.01Å; L114-L269 HydrophobicContact CD2-CB 4.06Å; L114-L269 HydrophobicContact CD2-CD1 3.93Å; N267-L269 PolarHBondContact O-N 3.49Å; N267-L269 WeakPolarHBondContact OD1-CB 3.39Å; N267-L269 PolarHBondContact OD1-N 2.79Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 2.96Å
270I98.3Very high97.4Very high0 Ų053.8 Ų53.80%028%0.283CS..Hα-helixtrans-63.2-49.8169.2-62.3-73.4000109.3F111 L114 E117 Y265 N267 Q268 K272 L273 K274F111-I270 HydrophobicContact CD1-CD1 3.88Å; F111-I270 HydrophobicContact CD1-CG2 4.41Å; F111-I270 HydrophobicContact CE1-CG2 4.26Å; L114-I270 HydrophobicContact CB-CD1 3.5Å; L114-I270 VanDerWaalsContact CB-CD1 3.5Å; L114-I270 HydrophobicContact CB-CG1 4.17Å; L114-I270 HydrophobicContact CD1-CD1 4.45Å; E117-I270 HydrophobicContact CB-CG2 4.1Å; E117-I270 HydrophobicContact CG-CG1 4.33Å; E117-I270 HydrophobicContact CG-CG2 4.4Å; Y265-I270 HydrophobicContact CD1-CG2 4.09Å; Y265-I270 HydrophobicContact CE1-CG2 4.23Å; N267-I270 HydrophobicContact CB-CB 4.29Å; N267-I270 HydrophobicContact CB-CG1 3.86Å; N267-I270 WeakPolarHBondContact O-CB 3.39Å; N267-I270 PolarHBondContact O-N 3.16Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; I270-K272 VanDerWaalsContact C-N 3.3Å; I270-K272 PolarHBondContact O-N 2.96Å; I270-L273 PolarHBondContact O-N 2.73Å; I270-L273 VanDerWaalsContact O-N 3.16Å; I270-K274 HydrophobicContact CG2-CD 4.45Å; I270-K274 HydrophobicContact CG2-CG 4Å; I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.06Å
271T97.5Very high97.1Very high31 Ų3154.3 Ų54.319%0.1929%0.287CS..Hα-helixtrans-51.1-48.9177.4-51.80000111.8Y265 N267 Q268 K274 I275Y265-T271 WeakPolarHBondContact CB-OG1 3.17Å; Y265-T271 HydrophobicContact CD2-CG2 4.34Å; N267-T271 PolarHBondContact O-N 3.14Å; N267-T271 VanDerWaalsContact O-N 3.15Å; Q268-T271 WeakPolarHBondContact O-CB 3.28Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 PolarHBondContact OE1-OG1 2.82Å; Q268-T271 VanDerWaalsContact OE1-OG1 3.07Å; T271-K274 PolarHBondContact O-N 3.11Å; T271-I275 HydrophobicContact CG2-CD1 4.06Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.09Å
272K96.9Very high96.7Very high132 Ų13260.9 Ų60.957%0.57432%0.316SS*.Hα-helixtrans-60.9-51.6176.9-178.7171.3-179.1177.50111.8Q268 I270 K274 I275 D276Q268-K272 PolarHBondContact O-N 2.92Å; I270-K272 VanDerWaalsContact C-N 3.3Å; I270-K272 PolarHBondContact O-N 2.96Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.49Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 3.05Å; K272-D276 VanDerWaalsContact CE-OD2 3.29Å; K272-D276 WeakPolarHBondContact CE-OD2 3.29Å; K272-D276 VanDerWaalsContact CG-OD2 3.27Å; K272-D276 WeakPolarHBondContact CG-OD2 3.36Å; K272-D276 PolarHBondContact O-N 3.08Å
273L97.8Very high96.3Very high33 Ų3364 Ų6417%0.17335%0.348CS..Hα-helixtrans-61.6-33.6-179.9-172.863.4000112.4K110 F111 L114 L269 I270 S277K110-L273 HydrophobicContact CB-CD2 4Å; F111-L273 HydrophobicContact CD1-CD2 3.7Å; F111-L273 HydrophobicContact CD1-CG 4.29Å; F111-L273 HydrophobicContact CD2-CD2 4.04Å; F111-L273 HydrophobicContact CE1-CB 3.88Å; F111-L273 HydrophobicContact CE1-CD2 3.67Å; F111-L273 HydrophobicContact CE1-CG 3.72Å; F111-L273 HydrophobicContact CE2-CD2 4.02Å; F111-L273 HydrophobicContact CE2-CG 4Å; F111-L273 HydrophobicContact CG-CD2 3.88Å; F111-L273 HydrophobicContact CZ-CB 4.05Å; F111-L273 HydrophobicContact CZ-CD2 3.83Å; F111-L273 HydrophobicContact CZ-CG 3.56Å; L114-L273 HydrophobicContact CD1-CD2 3.95Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 2.96Å; I270-L273 PolarHBondContact O-N 2.73Å; I270-L273 VanDerWaalsContact O-N 3.16Å; L273-S277 WeakPolarHBondContact O-CB 3.32Å; L273-S277 PolarHBondContact O-N 3.01Å; L273-S277 PolarHBondContact O-OG 3.48Å
274K98Very high95.9Very high7 Ų766.8 Ų66.83%0.0335%0.353CS..Hα-helixtrans-64.4-44171.1-61-75.6-170-148.70111.2F111 E117 F128 Y265 I270 T271 K272 N278F111-K274 HydrophobicContact CD1-CD 4.5Å; F111-K274 HydrophobicContact CE1-CD 3.54Å; F111-K274 HydrophobicContact CE1-CG 3.84Å; F111-K274 HydrophobicContact CZ-CD 3.68Å; F111-K274 HydrophobicContact CZ-CG 4.12Å; E117-K274 WeakPolarHBondContact O-CE 3.33Å; E117-K274 PolarHBondContact O-NZ 3.41Å; F128-K274 HydrophobicContact CD1-CD 3.87Å; F128-K274 PolarHBondContact O-NZ 3.27Å; Y265-K274 HydrophobicContact CE1-CD 4.34Å; Y265-K274 HydrophobicContact CE1-CG 4.17Å; Y265-K274 HydrophobicContact CE2-CG 4.12Å; Y265-K274 WeakPolarHBondContact OH-CD 3.4Å; Y265-K274 WeakPolarHBondContact OH-CE 3.4Å; I270-K274 HydrophobicContact CG2-CD 4.45Å; I270-K274 HydrophobicContact CG2-CG 4Å; I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.06Å; T271-K274 PolarHBondContact O-N 3.11Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.49Å; K274-N278 WeakPolarHBondContact O-CB 3.33Å; K274-N278 PolarHBondContact O-N 2.93Å
275I96.8Very high95.5Very high40 Ų4067.6 Ų67.621%0.20535%0.345CS..Hα-helixtrans-64.3-48.2178.9-71.8165.9000111.1T271 K272 A281 F284 R285T271-I275 HydrophobicContact CG2-CD1 4.06Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.09Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 3.05Å; I275-A281 HydrophobicContact CG1-CB 4.47Å; I275-F284 HydrophobicContact CD1-CB 4.03Å; I275-F284 HydrophobicContact CG1-CB 4.09Å; I275-F284 HydrophobicContact CG2-CB 3.95Å; I275-R285 HydrophobicContact CG2-CB 4.38Å; I275-R285 HydrophobicContact CG2-CG 3.58Å; I275-R285 VanDerWaalsContact O-CZ 3.28Å; I275-R285 PolarHBondContact O-NE 2.82Å; I275-R285 PolarHBondContact O-NH2 2.79Å
276D96.6Very high94.2Very high72 Ų7268.7 Ų68.739%0.38535%0.354SS..Hα-helixtrans-70.6-31.2-176.5-66.5-20.8000112.7K272 R285K272-D276 VanDerWaalsContact CE-OD2 3.29Å; K272-D276 WeakPolarHBondContact CE-OD2 3.29Å; K272-D276 VanDerWaalsContact CG-OD2 3.27Å; K272-D276 WeakPolarHBondContact CG-OD2 3.36Å; K272-D276 PolarHBondContact O-N 3.08Å; D276-R285 VanDerWaalsContact C-NH2 3.31Å; D276-R285 PolarHBondContact O-NH1 2.82Å; D276-R285 VanDerWaalsContact O-NH1 3.12Å; D276-R285 PolarHBondContact O-NH2 3.23Å
277S96.1Very high92.5Very high38 Ų3870.2 Ų70.227%0.26637%0.369SS..Hα-helixtrans-96.5-31.6-177.1-50.70000114.2L273 P279L273-S277 WeakPolarHBondContact O-CB 3.32Å; L273-S277 PolarHBondContact O-N 3.01Å; L273-S277 PolarHBondContact O-OG 3.48Å; S277-P279 WeakPolarHBondContact O-CD 3.38Å
278N95.7Very high90.7Very high26 Ų2672.9 Ų72.914%0.13939%0.388CS..  trans-86.2122.1-174.8-170.3-22.2000111.6F128 K274 F280 A281 R285F128-N278 HydrophobicContact CD1-CB 4.02Å; F128-N278 HydrophobicContact CD2-CB 3.95Å; F128-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F128-N278 HydrophobicContact CE1-CB 3.83Å; F128-N278 HydrophobicContact CE2-CB 3.74Å; F128-N278 HydrophobicContact CG-CB 4.09Å; F128-N278 WeakPolarHBondContact CG-ND2 3.28Å; F128-N278 HydrophobicContact CZ-CB 3.69Å; K274-N278 WeakPolarHBondContact O-CB 3.33Å; K274-N278 PolarHBondContact O-N 2.93Å; N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3.39Å; N278-F280 WeakPolarHBondContact OD1-CB 3.32Å; N278-F280 WeakPolarHBondContact OD1-CD2 3.46Å; N278-F280 PolarHBondContact OD1-N 3.05Å; N278-A281 HydrophobicContact CB-CB 4.07Å; N278-A281 PolarHBondContact O-N 2.88Å; N278-R285 PolarHBondContact O-NH2 3Å; N278-R285 VanDerWaalsContact O-NH2 3.09Å
279P94.8Very high88.8Confident95 Ų9575.1 Ų75.162%0.61739%0.392SS*.G310 helixtrans-57.4-36.7176.1-25.835.5000113.4S277 A281 K282S277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-A281 PolarHBondContact O-N 3.4Å; P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.98Å
280F93.4Very high86.9Confident187 Ų18774.9 Ų74.982%0.8239%0.39SS*.G310 helixtrans-72.6-6.2179.2-59.5-75.1000113.7N278N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3.39Å; N278-F280 WeakPolarHBondContact OD1-CB 3.32Å; N278-F280 WeakPolarHBondContact OD1-CD2 3.46Å; N278-F280 PolarHBondContact OD1-N 3.05Å
281A93.1Very high85.1Confident15 Ų1577.8 Ų77.812%0.12441%0.408CS..G310 helixtrans-106.45.1175.200000113.2I275 N278 P279 G283 F284I275-A281 HydrophobicContact CG1-CB 4.47Å; N278-A281 HydrophobicContact CB-CB 4.07Å; N278-A281 PolarHBondContact O-N 2.88Å; P279-A281 PolarHBondContact O-N 3.4Å; A281-G283 VanDerWaalsContact C-N 3.25Å; A281-G283 PolarHBondContact O-N 2.89Å; A281-G283 VanDerWaalsContact O-N 3.1Å; A281-F284 PolarHBondContact O-N 2.84Å
282K90.4Very high83.3Confident139 Ų13981.1 Ų81.160%0.60443%0.425SS*.G310 helixtrans-50.5-40.5-173.6-174.8-178.7176.2-175.50113.8P279 F284 R285P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.98Å; K282-F284 PolarHBondContact O-N 3.25Å; K282-F284 VanDerWaalsContact O-N 3.1Å; K282-R285 WeakPolarHBondContact O-CB 3.26Å; K282-R285 WeakPolarHBondContact O-CG 3.42Å; K282-R285 PolarHBondContact O-N 3.12Å; K282-R285 VanDerWaalsContact O-N 3.07Å
283G90.7Very high81.4Confident65 Ų6580.8 Ų80.867%0.6743%0.427SS*.G310 helixtrans-63-14.1-178.600000115.8A281A281-G283 VanDerWaalsContact C-N 3.25Å; A281-G283 PolarHBondContact O-N 2.89Å; A281-G283 VanDerWaalsContact O-N 3.1Å
284F89.2Confident79.7Confident140 Ų14085.1 Ų85.161%0.61445%0.446SS*.G310 helixtrans-92.1-7176-63.4-77.2000113.6I275 A281 K282I275-F284 HydrophobicContact CD1-CB 4.03Å; I275-F284 HydrophobicContact CG1-CB 4.09Å; I275-F284 HydrophobicContact CG2-CB 3.95Å; A281-F284 PolarHBondContact O-N 2.84Å; K282-F284 PolarHBondContact O-N 3.25Å; K282-F284 VanDerWaalsContact O-N 3.1Å
285R90.4Very high77.9Confident73 Ų7392.5 Ų92.528%0.27547%0.474SS..THydrogen-bonded Turntrans-67.5-49.9-179.5-65.7173.1-167.1-161.83.1110.9I275 D276 N278 K282 S287 S288I275-R285 HydrophobicContact CG2-CB 4.38Å; I275-R285 HydrophobicContact CG2-CG 3.58Å; I275-R285 VanDerWaalsContact O-CZ 3.28Å; I275-R285 PolarHBondContact O-NE 2.82Å; I275-R285 PolarHBondContact O-NH2 2.79Å; D276-R285 VanDerWaalsContact C-NH2 3.31Å; D276-R285 PolarHBondContact O-NH1 2.82Å; D276-R285 VanDerWaalsContact O-NH1 3.12Å; D276-R285 PolarHBondContact O-NH2 3.23Å; N278-R285 PolarHBondContact O-NH2 3Å; N278-R285 VanDerWaalsContact O-NH2 3.09Å; K282-R285 WeakPolarHBondContact O-CB 3.26Å; K282-R285 WeakPolarHBondContact O-CG 3.42Å; K282-R285 PolarHBondContact O-N 3.12Å; K282-R285 VanDerWaalsContact O-N 3.07Å; R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 2.85Å; R285-S288 PolarHBondContact O-N 3.38Å; R285-S288 PolarHBondContact O-OG 2.87Å
286D71.3Confident76.1Confident83 Ų8396.5 Ų96.544%0.44449%0.492SS..THydrogen-bonded Turntrans-71.7-23.8-174.3-57.4-62.7000113S288 R289 L290D286-S288 PolarHBondContact O-N 3.25Å; D286-R289 PolarHBondContact O-N 3.38Å; D286-L290 PolarHBondContact O-N 3.26Å; D286-L290 VanDerWaalsContact O-N 3.16Å
287S63.3Low74.7Confident63 Ų6396.8 Ų96.844%0.44150%0.5SS..Hα-helixtrans-57.9-28.6172.4-52.30000113.4R285 R289R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 2.85Å; S287-R289 VanDerWaalsContact C-N 3.34Å
288S59.4Low73.2Confident70 Ų7099 Ų9949%0.4951%0.511SS..Hα-helixtrans-69.4-31.517467.10000112.9R285 D286 T291R285-S288 PolarHBondContact O-N 3.38Å; R285-S288 PolarHBondContact O-OG 2.87Å; D286-S288 PolarHBondContact O-N 3.25Å; S288-T291 PolarHBondContact O-OG1 2.96Å
289R58.3Low71.6Confident167 Ų167104.1 Ų104.163%0.6353%0.534SS*.Hα-helixtrans-83-30.8-176.7-56.7179.366.2-166.30.3112.2D286 S287 T291 D292 M293D286-R289 PolarHBondContact O-N 3.38Å; S287-R289 VanDerWaalsContact C-N 3.34Å; R289-T291 VanDerWaalsContact C-N 3.34Å; R289-D292 PolarHBondContact O-N 3.34Å; R289-M293 PolarHBondContact O-N 2.78Å; R289-M293 VanDerWaalsContact O-N 3.13Å
290L57Low70.1Confident96 Ų96104.1 Ų104.150%0.50353%0.529SS..Hα-helixtrans-61.6-42.4176-68.2175.3000111.3D286 D292 M293 E294D286-L290 PolarHBondContact O-N 3.26Å; D286-L290 VanDerWaalsContact O-N 3.16Å; L290-D292 PolarHBondContact O-N 2.89Å; L290-D292 VanDerWaalsContact O-N 3.13Å; L290-M293 PolarHBondContact O-N 3.14Å; L290-E294 WeakPolarHBondContact O-CB 3.31Å; L290-E294 VanDerWaalsContact O-CG 3.31Å; L290-E294 WeakPolarHBondContact O-CG 3.42Å; L290-E294 PolarHBondContact O-N 3Å
291T59.7Low68.7Low62 Ų6299.8 Ų99.838%0.3851%0.514SS..Hα-helixtrans-67.6-11.7177.950.60000114.9S288 R289 R295S288-T291 PolarHBondContact O-OG1 2.96Å; R289-T291 VanDerWaalsContact C-N 3.34Å; T291-R295 WeakPolarHBondContact O-CG 3.12Å; T291-R295 PolarHBondContact O-NH1 3.4Å
292D59.7Low67.4Low100 Ų100104 Ų10454%0.53553%0.533SS..Hα-helixtrans-91.8-45173.7-62-21.8000110.1R289 L290 E294 R295 E296R289-D292 PolarHBondContact O-N 3.34Å; L290-D292 PolarHBondContact O-N 2.89Å; L290-D292 VanDerWaalsContact O-N 3.13Å; D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 3.48Å; D292-R295 WeakPolarHBondContact O-CB 3.46Å; D292-R295 PolarHBondContact O-N 3.23Å; D292-E296 WeakPolarHBondContact O-CB 3.43Å; D292-E296 PolarHBondContact O-N 3.25Å
293M59Low66Low126 Ų126102.4 Ų102.462%0.62153%0.528SS*.Hα-helixtrans-61.9-36.5171.6-72.7-179.862.500112.9R289 L290 E296 S297R289-M293 PolarHBondContact O-N 2.78Å; R289-M293 VanDerWaalsContact O-N 3.13Å; L290-M293 PolarHBondContact O-N 3.14Å; M293-E296 PolarHBondContact O-N 2.99Å; M293-S297 VanDerWaalsContact O-CB 3.23Å; M293-S297 WeakPolarHBondContact O-CB 3.39Å; M293-S297 PolarHBondContact O-N 2.95Å
294E60.8Low64.3Low124 Ų124107 Ų10758%0.57953%0.529SS*.Hα-helixtrans-67.8-37.3175-73.5175.9147.400111.6L290 D292 V298L290-E294 WeakPolarHBondContact O-CB 3.31Å; L290-E294 VanDerWaalsContact O-CG 3.31Å; L290-E294 WeakPolarHBondContact O-CG 3.42Å; L290-E294 PolarHBondContact O-N 3Å; D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 3.48Å; E294-V298 WeakPolarHBondContact O-CB 3.48Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.34Å
295R59.6Low62.7Low161 Ų161106 Ų10661%0.60853%0.526SS*.Hα-helixtrans-64.1-50.3171.4-84.8179.6176.781.9-0.3111.5T291 D292 S297 V298 E299T291-R295 WeakPolarHBondContact O-CG 3.12Å; T291-R295 PolarHBondContact O-NH1 3.4Å; D292-R295 WeakPolarHBondContact O-CB 3.46Å; D292-R295 PolarHBondContact O-N 3.23Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.31Å; R295-V298 PolarHBondContact O-N 3.36Å; R295-V298 VanDerWaalsContact O-N 3.14Å; R295-E299 WeakPolarHBondContact O-CB 3.23Å; R295-E299 PolarHBondContact O-N 3.38Å
296E59.7Low60.9Low124 Ų124106.1 Ų106.158%0.57954%0.538SS*.Hα-helixtrans-60.9-36.6179.9-169.8173.3-126.200111.3D292 M293 N300D292-E296 WeakPolarHBondContact O-CB 3.43Å; D292-E296 PolarHBondContact O-N 3.25Å; M293-E296 PolarHBondContact O-N 2.99Å; E296-N300 VanDerWaalsContact O-CB 3.29Å; E296-N300 WeakPolarHBondContact O-CB 3.3Å; E296-N300 PolarHBondContact O-N 3.45Å; E296-N300 PolarHBondContact O-ND2 3.11Å
297S66.5Low60.1Low79 Ų79110.9 Ų110.955%0.55255%0.551SS**Hα-helixtrans-66.2-44.9172.9-172.90000112.7M293 R295 L301M293-S297 VanDerWaalsContact O-CB 3.23Å; M293-S297 WeakPolarHBondContact O-CB 3.39Å; M293-S297 PolarHBondContact O-N 2.95Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.31Å; S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.86Å
298V64.5Low59.6Low83 Ų83111.2 Ų111.250%0.50356%0.558SS.*Hα-helixtrans-66.5-39.2175.8168.30000111.6E294 R295 L301 I302E294-V298 WeakPolarHBondContact O-CB 3.48Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.34Å; R295-V298 PolarHBondContact O-N 3.36Å; R295-V298 VanDerWaalsContact O-N 3.14Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.37Å; V298-I302 HydrophobicContact CG1-CD1 3.89Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 3.01Å
299E62.2Low59Low135 Ų135118.2 Ų118.263%0.63157%0.573SS**Hα-helixtrans-67.5-43.5177.4-173.1161.3-160.900111.2R295 L301 I302 H303R295-E299 WeakPolarHBondContact O-CB 3.23Å; R295-E299 PolarHBondContact O-N 3.38Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.07Å; E299-I302 PolarHBondContact O-N 3.22Å; E299-H303 WeakPolarHBondContact O-CB 3.31Å; E299-H303 PolarHBondContact O-N 3.15Å
300N63.8Low58.1Low95 Ų95115.8 Ų115.851%0.50858%0.582SS.*Hα-helixtrans-60.4-35.9170.7-86.7-75.1000112.9E296 K304E296-N300 VanDerWaalsContact O-CB 3.29Å; E296-N300 WeakPolarHBondContact O-CB 3.3Å; E296-N300 PolarHBondContact O-N 3.45Å; E296-N300 PolarHBondContact O-ND2 3.11Å; N300-K304 WeakPolarHBondContact O-CG 3.43Å; N300-K304 PolarHBondContact O-N 3.23Å
301L65.3Low57.8Low95 Ų95116.6 Ų116.650%0.49759%0.593SS.*Hα-helixtrans-69-42.7175.4-178.460.5000111.7S297 V298 E299 K304 H305S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.86Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.37Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.07Å; L301-K304 PolarHBondContact O-N 3.4Å; L301-H305 PolarHBondContact O-CD2 3.44Å; L301-H305 PolarHBondContact O-N 3.07Å
302I65.6Low56.9Low103 Ų103121.6 Ų121.653%0.52862%0.615SS.*Hα-helixtrans-60.7-47.2172.8-70164.6000109.9V298 E299 K304 H305 S306V298-I302 HydrophobicContact CG1-CD1 3.89Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 3.01Å; E299-I302 PolarHBondContact O-N 3.22Å; I302-K304 VanDerWaalsContact C-N 3.34Å; I302-K304 PolarHBondContact O-N 3.35Å; I302-H305 CarbonylContact O-C 3.53Å; I302-H305 WeakPolarHBondContact O-CA 3.17Å; I302-H305 PolarHBondContact O-N 3.18Å; I302-S306 PolarHBondContact O-N 3.39Å; I302-S306 PolarHBondContact O-OG 2.97Å; I302-S306 VanDerWaalsContact O-OG 3.12Å
303H59.8Low55.8Low106 Ų106128.2 Ų128.249%0.49163%0.633SS.*Hα-helixtrans-59.5-42.9179.1-139.476.7000111.5E299 H305 S306 Y307E299-H303 WeakPolarHBondContact O-CB 3.31Å; E299-H303 PolarHBondContact O-N 3.15Å; H303-H305 VanDerWaalsContact C-N 3.34Å; H303-H305 PolarHBondContact O-N 2.9Å; H303-S306 WeakPolarHBondContact O-CB 3.48Å; H303-S306 PolarHBondContact O-N 3.14Å; H303-Y307 AromaticContact CD2-CE2 3.7Å; H303-Y307 WeakPolarHBondContact O-CD2 3.4Å; H303-Y307 PolarHBondContact O-N 2.95Å
304K55.1Low54.6Low161 Ų161127.4 Ų127.470%0.764%0.636SS**Hα-helixtrans-62-36.8172.1-80.7179.51751760113.2N300 L301 I302N300-K304 WeakPolarHBondContact O-CG 3.43Å; N300-K304 PolarHBondContact O-N 3.23Å; L301-K304 PolarHBondContact O-N 3.4Å; I302-K304 VanDerWaalsContact C-N 3.34Å; I302-K304 PolarHBondContact O-N 3.35Å
305H55.2Low53.3Low121 Ų121133.2 Ų133.256%0.5665%0.654SS**Hα-helixtrans-75-26175.3-78.7-59.9000113.7L301 I302 H303 A308L301-H305 PolarHBondContact O-CD2 3.44Å; L301-H305 PolarHBondContact O-N 3.07Å; I302-H305 CarbonylContact O-C 3.53Å; I302-H305 WeakPolarHBondContact O-CA 3.17Å; I302-H305 PolarHBondContact O-N 3.18Å; H303-H305 VanDerWaalsContact C-N 3.34Å; H303-H305 PolarHBondContact O-N 2.9Å; H305-A308 WeakPolarHBondContact O-CB 3.32Å; H305-A308 PolarHBondContact O-N 3.46Å; H305-A308 VanDerWaalsContact O-N 3.07Å
306S52.4Low52.2Low74 Ų74130.4 Ų130.452%0.51767%0.665SS.*Hα-helixtrans-60.7-43.7173-59.60000111.9I302 H303 A308I302-S306 PolarHBondContact O-N 3.39Å; I302-S306 PolarHBondContact O-OG 2.97Å; I302-S306 VanDerWaalsContact O-OG 3.12Å; H303-S306 WeakPolarHBondContact O-CB 3.48Å; H303-S306 PolarHBondContact O-N 3.14Å; S306-A308 PolarHBondContact O-N 3.2Å
307Y54.4Low50.9Low184 Ų184127.6 Ų127.672%0.72267%0.669SS**THydrogen-bonded Turntrans-69.3-11.5174.5-66.1-73.4000114H303H303-Y307 AromaticContact CD2-CE2 3.7Å; H303-Y307 WeakPolarHBondContact O-CD2 3.4Å; H303-Y307 PolarHBondContact O-N 2.95Å
308A53.5Low49.4Very low70 Ų70131.1 Ų131.158%0.57968%0.682SS**THydrogen-bonded Turntrans-95.93-177.500000114.5H305 S306H305-A308 WeakPolarHBondContact O-CB 3.32Å; H305-A308 PolarHBondContact O-N 3.46Å; H305-A308 VanDerWaalsContact O-N 3.07Å; S306-A308 PolarHBondContact O-N 3.2Å
309R47.2Very low48Very low217 Ų217135.7 Ų135.782%0.81970%0.698SS**  trans-132.183.1177.6-80-168.5173.8-112.82.1113.6
310S40.1Very low46.6Very low116 Ų116136.6 Ų136.681%0.81170%0.702SS**  trans-123.891.6162.9-68.70000111.3
311P49.2Very low45.1Very low113 Ų113138 Ų13873%0.73471%0.709SS**  trans-105.171.2178.837.9-29.7000111.9
312I41.3Very low43.6Very low166 Ų166141.2 Ų141.285%0.85173%0.726SS**  trans-127.786.8175.3-60.2-174.6000111.9
313R36.2Very low42Very low239 Ų239140.4 Ų140.490%0.90273%0.73SS**  trans-170.7142.2145.7-113.8-177.2170.2173.6-2.9105.5
314T33.6Very low40.8Very low110 Ų110143 Ų14368%0.67574%0.742SS**  cis-137.3139.916.949.20000112.3
315Y35.1Very low39.9Very low246 Ų246143.2 Ų143.297%0.96575%0.751SS**  trans-125.1137.8134-104.9-94.4000106.7
316A34.8Very low38.9Very low102 Ų102141 Ų14184%0.84376%0.76SS**  trans-132.5118.9172.800000106.2
317G33.2Very low38.1Very low64 Ų64145.6 Ų145.666%0.6677%0.773SS**  trans-153.6135.3-179.600000108.5
318D34.6Very low37Very low153 Ų153142 Ų14282%0.81877%0.771SS**  trans70.397.9150.7-44.2-24000119.7
319E35Very low36.2Very low180 Ų180145 Ų14584%0.84178%0.782SS**  80.9134.9124-60.1-161.7136.100124.4
320E34.3Very low35.6Very low154 Ų154142.9 Ų142.972%0.7278%0.781SS**  trans58103.4142.9-61.6-115.386.300122.7
321N30.8Very low35.1Very low123 Ų123142.4 Ų142.466%0.65877%0.773SS**  54.8123.6117.2-74.5-41.9000122.8
322L34.7Very low34.5Very low163 Ų163149 Ų14985%0.85378%0.783SS**  trans66.5131.8147.7-56164.1000117.5
323S31.8Very low33.9Very low87 Ų87144.8 Ų144.861%0.60878%0.781SS**  cis-158.6-150.2-9.7-145.90000108
324E34.9Very low33.9Very low161 Ų161139.2 Ų139.275%0.75278%0.779SS**  cis-153.9-131.59.8-15776.989.400110.4
325D35.8Very low33.8Very low165 Ų165138 Ų13888%0.88278%0.78SS**  trans-71.7162.5-174-78.2-43.2000117.5
326G33.3Very low33.8Very low73 Ų73135.1 Ų135.175%0.75377%0.773SS**  trans-171.5-0176.300000122.3
327H36.4Very low33.8Very low171 Ų171136.1 Ų136.179%0.79277%0.769SS**  trans63113.6165.7-111.2-84.7000121.7
328T31.8Very low33.8Very low109 Ų109136.1 Ų136.167%0.66976%0.763SS**  trans55.4134141.451.60000120.9
329T35.2Very low33.8Very low133 Ų133133.8 Ų133.882%0.81676%0.758SS**  -154.8173.752.643.70000115.6
330H35.3Very low33.5Very low173 Ų173133.4 Ų133.480%0.80176%0.762SS**  trans-63.4175.8176-67.1-74.8000116.7
331T30.8Very low33.5Very low106 Ų106132.9 Ų132.965%0.6576%0.764SS**  cis-178.5122.8-34.4-78.10000108.7
332R35.3Very low33.6Very low250 Ų250134.6 Ų134.694%0.94377%0.772SS**  trans42.3131.2155.6-70.7176.1156.6163.4-6.5122.9
333G29.7Very low33.4Very low78 Ų78131.4 Ų131.480%0.80476%0.763SS**  trans151.8134.3142.900000113.8
334S34.9Very low33.5Very low122 Ų122136 Ų13685%0.85378%0.78SS**  cis-159.9166-10.8-162.80000111.8
335A32.7Very low33.3Very low85 Ų85133.7 Ų133.770%0.70278%0.782SS**  trans46110.6156.500000121.2
336F33.9Very low33.1Very low186 Ų186130.7 Ų130.782%0.81677%0.774SS**  trans-71141.5146.9158.4-84000110.4A338F336-A338 HydrophobicContact CE1-CB 4.28Å; F336-A338 HydrophobicContact CZ-CB 3.97Å
337T35Very low33.1Very low123 Ų123139.3 Ų139.376%0.75578%0.784SS**  trans-139.7124.4156.153.10000110.3
338A34Very low33Very low64 Ų64137.3 Ų137.353%0.52978%0.784SS.*  trans-62.3161.5153.900000109F336F336-A338 HydrophobicContact CE1-CB 4.28Å; F336-A338 HydrophobicContact CZ-CB 3.97Å
339S33.2Very low32.9Very low103 Ų103138.5 Ų138.572%0.7279%0.791SS**  cis-157.9166.635.8-47.30000111.2
340D29.3Very low32.7Very low172 Ų172138.1 Ų138.192%0.9279%0.788SS**  -159.5153.4110.4-104.1-24.5000112.4
341N34.4Very low32.6Very low143 Ų143135.7 Ų135.777%0.76579%0.786SS**  trans-125.8129-175.8166.919.3000108.2
342L33.3Very low32.8Very low160 Ų160136.3 Ų136.384%0.83880%0.795SS**  trans-154.8109.5160.9-107.9172.2000113.1
343S29.6Very low32.4Very low95 Ų95128.2 Ų128.266%0.66479%0.789SS**  trans50.2106.5142.3-59.90000120.8
344L34Very low32.6Very low183 Ų183134.6 Ų134.696%0.95880%0.795SS**  trans-69.6134.8148.4-74.2163.1000110.7
345S32Very low32.5Very low114 Ų114134.6 Ų134.680%0.79780%0.796SS**  trans-143.1131.8152.8550000110.4
346S31.8Very low32.4Very low102 Ų102133.7 Ų133.771%0.71379%0.794SS**  trans-68.2161175.8-46.40000111.2
347W33.5Very low32.2Very low253 Ų253135.2 Ų135.296%0.95880%0.801SS**  -144.7144.8122.2-84.9-22.8000111.6
348V33.1Very low32.2Very low129 Ų129138 Ų13878%0.78281%0.806SS**  trans-102137.6168168.90000106.7
349T30.9Very low32.3Very low134 Ų134142.2 Ų142.282%0.82281%0.814SS**  trans-131122.6166-46.30000110.1
350T30Very low32.8Very low125 Ų125143 Ų14377%0.76782%0.816SS**  trans-82.6175.1176.645.50000112.3
351T32.8Very low33.2Very low122 Ų122141.6 Ų141.675%0.74880%0.804SS**  trans-74.5168.3-176.952.40000114.9
352S35Very low33.3Very low119 Ų119140.2 Ų140.283%0.83280%0.801SS**  trans69.6122.9147.554.30000120.3
353G28.2Very low33.3Very low81 Ų81140.2 Ų140.284%0.83580%0.801SS**  trans-177.7125.6163.700000110.4
354F33.9Very low33.4Very low211 Ų211141 Ų14193%0.92581%0.806SS**  trans-125124.5-169.7-144-79.1000111.4
355S31.4Very low33.4Very low123 Ų123137.2 Ų137.286%0.8680%0.802SS**  trans177139.3161.7-77.60000107.4
356G30.3Very low33.3Very low65 Ų65140.8 Ų140.867%0.6781%0.808SS**  cis122.999.45.800000110.5
357F31.1Very low33.2Very low218 Ų218139.6 Ų139.696%0.95681%0.812SS**  trans-151.6165.2176.6-120.7-84.4000113.8
358Q34Very low33.1Very low183 Ų183134.6 Ų134.686%0.85581%0.81SS**  trans-108.4177.1-164.5-82.7-176.4-26.600115.9
359H37.3Very low33Very low152 Ų152131.8 Ų131.870%0.70481%0.807SS**  trans-50.2158.9170.8-132.1-26.2000114.5
360P43.6Very low33Very low119 Ų119132.5 Ų132.577%0.77381%0.812SS**  -137.8-177.6120.539-28.9000114.1
361Q36.7Very low33.2Very low142 Ų142131.6 Ų131.666%0.66482%0.817SS**  trans-131.9147.6-178-80.6-81.9-7.500111.8
362T37.2Very low33.1Very low114 Ų114130.8 Ų130.870%0.69982%0.816SS**  trans43.9129.1154.657.10000122.1
363L33.1Very low33.2Very low161 Ų161132.8 Ų132.884%0.84382%0.817SS**  -172148.7103.9-98.3165.8000114.6
364S32.7Very low34.7Very low110 Ų110134.1 Ų134.177%0.76981%0.81SS**  trans-0.8137.7164.3-50.40000123.7
365A32Very low35.1Very low105 Ų105132.1 Ų132.187%0.86880%0.803SS**  -169.5156.2122.800000114.8
366M31.4Very low36.3Very low188 Ų188130.8 Ų130.893%0.92679%0.792SS**  trans-61.8159.4-171.9-61.6-128.76400118.7
367G29.9Very low36.7Very low77 Ų77135.2 Ų135.279%0.79480%0.798SS**  trans-171.1106.2166.300000114.8
368T31.5Very low36.9Very low148 Ų148133.5 Ų133.591%0.90879%0.793SS**  trans-64.1157.5179.147.50000114.9
369G29.8Very low36.8Very low71 Ų71128.3 Ų128.373%0.73279%0.789SS**  cis172.8-175.21.600000112.7
370T31.7Very low36.6Very low149 Ų149127 Ų12791%0.91480%0.797SS**  trans-131.9152.5-179.547.80000112
371A33.2Very low36.1Very low106 Ų106129.2 Ų129.288%0.87680%0.802SS**  trans-85.7163-173.400000114
372S30.8Very low37.1Very low104 Ų104127.8 Ų127.873%0.72781%0.805SS**  trans-153.7137.6-174.5530000116.2
373L38.6Very low38.4Very low162 Ų162126.9 Ų126.985%0.84880%0.8SS**  trans69169.3145.1-68.2173.6000118.2
374P57.8Low38.6Very low108 Ų108129.5 Ų129.570%0.70180%0.801SS**  cis-127.4-162.412.644.1-24.7000113.8
375H42.3Very low38.6Very low169 Ų169129.7 Ų129.778%0.78280%0.802SS**  cis-137.7-109.79-147.8-1.4000117.9
376P58.5Low38.9Very low96 Ų96136 Ų13662%0.62380%0.803SS**  trans-139.9-169.6-135.537.7-12.2000120.3
377I36.7Very low39.1Very low157 Ų157135.9 Ų135.981%0.80581%0.806SS**  trans96137.2163.5-52.5173.7000116.7
378Q36.3Very low39.2Very low182 Ų182135.1 Ų135.185%0.8580%0.797SS**  cis-171.5134.1-39.7179167.1-16.900111.7
379G32.2Very low39.4Very low74 Ų74136.7 Ų136.776%0.76380%0.797SS**  trans81.9157162.300000117.7
380S33.7Very low41Very low124 Ų124138.2 Ų138.287%0.86779%0.794SS**  cis-157.5170.5-1154.20000112.1
381L32.6Very low41.2Very low167 Ų167138.8 Ų138.887%0.87479%0.79SS**  trans-122.6-168.6-169.1-83.4170.5000110.8
382P58.2Low41.4Very low112 Ų112139.8 Ų139.873%0.72779%0.786SS**  cis-135.7-130.3-27.226.60.2000112.2
383P63.8Low42.7Very low94 Ų94140.5 Ų140.561%0.6179%0.788SS**  -128.1-174.7-62.624.9-2.2000117.8
384Y37.8Very low42.5Very low216 Ų216139.1 Ų139.185%0.84779%0.792SS**  trans89.6147.7156.2-69.2-64.2000119.8
385S32.6Very low41.5Very low114 Ų114138.6 Ų138.680%0.79780%0.796SS**  cis-149.4-178.910.5-143.70000116.2
386R38Very low41.4Very low238 Ų238139.3 Ų139.390%0.89881%0.805SS**  trans-119.2158.9-178.5-80.4-176.2170.2-166-0.4114.1
387L36.1Very low40.3Very low186 Ų186139.5 Ų139.597%0.97482%0.815SS**  trans-166.3179.9148.3-126.565000109.7
388G31.6Very low40.1Very low60 Ų60135.9 Ų135.962%0.61982%0.816SS**  cis-169.2-11.51.100000120.4
389M35.9Very low40.1Very low181 Ų181133.2 Ų133.289%0.89281%0.812SS**  trans73.5-158.8174.8-58.9-83.2-77.300116.3
390P63.2Low40.3Very low103 Ų103138.1 Ų138.167%0.66982%0.818SS**  -133.9-172-11143.2-23.4000116.1
391L35.3Very low40.4Very low162 Ų162141.6 Ų141.685%0.84882%0.82SS**  trans-179.5-176.9135.7-99.7168.3000114.1
392T36.6Very low40.5Very low127 Ų127137.4 Ų137.478%0.77982%0.818SS**  trans-122.4-149.9-15859.10000114.5
393P59.2Low39.4Very low118 Ų118138 Ų13877%0.76683%0.825SS**  -119.9-179.2-129.837.6-16.2000116
394S34.4Very low37.9Very low133 Ų133137 Ų13793%0.9383%0.832SS**  trans-139.5150.7167.8-82.70000111.8
395A37Very low38.2Very low97 Ų97132.8 Ų132.880%0.80283%0.83SS**  trans-135147.9176.300000110.8
396L38.7Very low38.5Very low184 Ų184132.9 Ų132.996%0.96383%0.831SS**  trans-137.8147.3164.9-84.8175.7000109.5
397A35.4Very low38.4Very low100 Ų100131 Ų13183%0.82683%0.83SS**  trans-100.2152.1-174.700000112.1
398G34.2Very low38.6Very low81 Ų81126.7 Ų126.784%0.83581%0.813SS**  trans-139.7109.8167.800000109.7
399T36.5Very low38.7Very low126 Ų126129.8 Ų129.877%0.77383%0.825SS**  trans-96.1132.7177.438.30000110.8
400M35.4Very low38.6Very low177 Ų177130 Ų13087%0.87282%0.821SS**  trans-153.4158.9155.3-94.7-53.7104.300110.1
401Q36.9Very low37.3Very low197 Ų197133.1 Ų133.192%0.92183%0.827SS**  trans-94.6147.3-171.7-64.6166.4-32.200111.8
402G33.6Very low37.4Very low80 Ų80133.1 Ų133.183%0.82582%0.824SS**  trans-163.5125.617700000112.5
403S35.4Very low37.6Very low125 Ų125131.9 Ų131.987%0.87482%0.819SS**  trans-92.7110.2-162.152.60000116.1
404G32.4Very low36.5Very low73 Ų73137.4 Ų137.475%0.75382%0.824SS**  trans61.6-172.3150.900000118.9
405P43.5Very low36.3Very low126 Ų126141 Ų14182%0.81882%0.819SS**  cis-104.6174.4-10.539.7-31.5000113.3
406S38.3Very low36.1Very low117 Ų117143.9 Ų143.982%0.81882%0.815SS**PPolyproline II helixtrans-92.6143179.947.70000113.9
407F37.3Very low35.9Very low197 Ų197142.9 Ų142.986%0.86481%0.805SS**PPolyproline II helixtrans-89.3142.5166.5-75.6-87.5000111.2
408P38.8Very low35.9Very low96 Ų96146.8 Ų146.862%0.62380%0.8SS**PPolyproline II helixtrans-83.7122.2179.931.7-33.5000112.8F410P408-F410 HydrophobicContact CB-CD2 4.46Å; P408-F410 HydrophobicContact CB-CE2 4.16Å; P408-F410 HydrophobicContact CG-CD2 4.38Å; P408-F410 HydrophobicContact CG-CE2 3.91Å; P408-F410 PolarHBondContact O-N 3.16Å
409S35.3Very low35.8Very low125 Ų125153.1 Ų153.187%0.87481%0.805SS**  trans-74.3105.5165.9-71.50000110.7H411S409-H411 PolarHBondContact O-N 3.27Å; S409-H411 VanDerWaalsContact O-N 3.16Å
410F32.2Very low35.7Very low185 Ų185154.2 Ų154.281%0.81180%0.801SS**  trans-77.897.7172.5-84.3-82.9000111.7P408P408-F410 HydrophobicContact CB-CD2 4.46Å; P408-F410 HydrophobicContact CB-CE2 4.16Å; P408-F410 HydrophobicContact CG-CD2 4.38Å; P408-F410 HydrophobicContact CG-CE2 3.91Å; P408-F410 PolarHBondContact O-N 3.16Å
411H36.7Very low35.7Very low169 Ų169154.1 Ų154.178%0.78280%0.799SS**  trans-91.8122.7160.5176.781.3000109.6S409S409-H411 PolarHBondContact O-N 3.27Å; S409-H411 VanDerWaalsContact O-N 3.16Å
412M38.2Very low35.3Very low162 Ų162148 Ų14880%0.79879%0.788SS**  trans-147.2161.9171.7-98.6-154.212000111.4
413P39.1Very low35.6Very low102 Ų102149.9 Ų149.966%0.66279%0.786SS**  -109.2174.9-127.539.7-37.4000115.6
414R37.1Very low35.8Very low233 Ų233155.4 Ų155.488%0.87979%0.789SS**  trans-117.7103.6-170.6-172.8-172.9-162.3170.46112.1
415Y31.1Very low36.1Very low210 Ų210156.5 Ų156.582%0.82479%0.792SS**  trans-137.2115.2162.8-89.5-91.7000108.2
416H32.6Very low35.7Very low156 Ų156155.1 Ų155.172%0.72279%0.791SS**  58.711599.6-74.3-81.8000112.6
417H33.1Very low35.9Very low163 Ų163157.7 Ų157.776%0.75579%0.794SS**  -160.3-168.863.7-13970.3000114.6
418Y36.1Very low35.7Very low182 Ų182158.1 Ų158.171%0.71480%0.798SS**  trans-54.3148.3-179.3-82.3-112.3000115.3
419F31.4Very low35.3Very low215 Ų215157.1 Ų157.194%0.94381%0.805SS**  trans-136.7119.1145.2-117.7-85.5000109.9
420Q35.3Very low35.1Very low149 Ų149159.6 Ų159.670%0.69681%0.808SS**  trans-140.5145.8175-161.2-174.120.100108.3
421Q34.6Very low35.3Very low175 Ų175161.4 Ų161.482%0.81881%0.809SS**  trans75.3148.1174.8-47.1-167.417.600118.3
422G29.8Very low35.2Very low68 Ų68161 Ų16170%0.70181%0.807SS**  trans154.6134.417400000110.5
423P39.6Very low35Very low119 Ų119159.1 Ų159.177%0.77381%0.81SS**SBendcis-139.997-16.135.2-14.3000113
424Y39.8Very low34.7Very low241 Ų241159.3 Ų159.395%0.94581%0.814SS**  trans-161.369.7168.8-112.8-67.3000113.8
425A39Very low34.7Very low97 Ų97154.9 Ų154.980%0.80281%0.813SS**  trans-162.279.4172.300000113.6
426A34.5Very low35Very low97 Ų97151.2 Ų151.280%0.80281%0.812SS**  trans-164.352.7172.600000115.9
427I41.5Very low34.9Very low171 Ų171152.5 Ų152.588%0.87782%0.821SS**  trans-13781.9161.6-51.6-179.6000110.7
428Q33.3Very low35.1Very low205 Ų205150.5 Ų150.596%0.95882%0.82SS**  trans-168.9139.9155.1-109.4173.63100108.4
429G30.6Very low35.9Very low75 Ų75147.6 Ų147.677%0.77382%0.823SS**  trans121.555.9171.900000117
430L31.7Very low36.2Very low178 Ų178146.4 Ų146.493%0.93282%0.818SS**  trans-152.5103.5151.7-111.6167.3000109.2
431R35.4Very low36.4Very low223 Ų223149.2 Ų149.284%0.84285%0.845SS**  trans-125.4119172.4-96.9-168.3173.3-168.20.1108.7
432H34.5Very low36.5Very low159 Ų159148 Ų14874%0.73685%0.847SS**  trans49.8110.2155.2-50.192.3000118.8
433S34.9Very low36.9Very low124 Ų124152.2 Ų152.287%0.86785%0.854SS**  trans-117.3127.3133.452.40000108
434S32.7Very low36.7Very low105 Ų105154 Ų15473%0.73486%0.859SS**  trans-107.5118.8-176.2-58.20000110.2
435T38.3Very low36.6Very low140 Ų140148.9 Ų148.986%0.85985%0.854SS**  trans-135.3135.1165-53.10000109.1
436V36.3Very low36.4Very low133 Ų133152.1 Ų152.181%0.80686%0.857SS**  trans-104.1132.6-176.2171.80000109.7
437M29.7Very low36.5Very low184 Ų184155.8 Ų155.891%0.90686%0.861SS**  trans-170131.9133.7-109.6176.1177.300112.4
438T37.8Very low36.2Very low121 Ų121154.7 Ų154.774%0.74286%0.86SS**  trans-87.7164.6153.651.80000108.8
439P54.1Low36.4Very low120 Ų120150.8 Ų150.878%0.77985%0.852SS**  -141.6179.895.939.1-25.7000114.7
440F36.4Very low36.9Very low191 Ų191157.2 Ų157.284%0.83886%0.859SS**  trans-46.3159.3159.4-65.3-99.8000112.1
441V41Very low37.4Very low208 Ų208155.3 Ų155.3100%1.26185%0.852SS**  cis-130030.2178.30000112.1

Retrieved 441 of 441 residues in 761.4 ms (Link to these results)